1.0 2016-06-03 11:54:08 UTC 2026-05-14 16:23:58 UTC Daptomycin SmallMolecule Daptomycin is an organic compound with the chemical formula C72H101N17O26. Daptomycin belongs to the depsipeptides, a subclass of peptidomimetics within the organic compounds. With an average molecular weight of 1,621 g/mol, Daptomycin is a heavy molecule. This compound is recorded as being found in or released from three sources: antennas in electrical and electronic equipment, and antibacterials and antibiotics within healthcare, pharmaceuticals, and veterinary products. Recorded exposure routes for Daptomycin include oral, intravenous, and inhalation. In terms of biological activity, Daptomycin has one recorded protein target, acting as a binder of Dihydropteroate synthase (folP). C72H101N17O26 1620.693 1619.71036644 (3S)-3-{[(3S,6S,9R,15S,18R,21S,24S)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(hydroxymethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]-C-hydroxycarbonimidoyl}-3-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxydecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propylidene]amino}propanoic acid (3S)-3-{[(3S,6S,9R,15S,18R,21S,24S)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(hydroxymethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]-C-hydroxycarbonimidoyl}-3-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxydecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propylidene]amino}propanoic acid 103060-53-3 [H]C(C)(CC(O)=O)[C@]1([H])N=C(O)[C@@]([H])(CO)N=C(O)CN=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@@]([H])(C)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CCCN)N=C(O)CN=C(O)C([H])(N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@]([H])(CC2=CNC3=CC=CC=C23)N=C(O)CCCCCCCCC)C([H])(C)OC(=O)[C@]([H])(CC(=O)C2=CC=CC=C2N)N=C1O InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35?,36-,37?,43+,44+,45+,46+,47+,48+,49+,50-,60+,61?/m1/s1 DOAKLVKFURWEDJ-OFNKPWESSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Primary carboxylic acid amides Alkyl chlorides Alkyl iodides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organonitrogen compounds Organopnictogen compounds Aliphatic acyclic compound Alkyl chloride Alkyl halide Alkyl iodide Carbonyl group Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Primary carboxylic acid amide Aliphatic acyclic compounds Halogenated fatty acids Detected and Not Quantified Daptomycin Drug Metabolism Action Pathway SMP0142591 logp -9.4 logp 0.93 ALOGPS logs -4.55 ALOGPS solubility 4.56e-02 g/l ALOGPS logp 4.69 ChemAxon pka_strongest_acidic 2.38 ChemAxon iupac (3S)-3-{[(3S,6S,9R,15S,18R,21S,24S)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(hydroxymethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]-C-hydroxycarbonimidoyl}-3-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxydecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propylidene]amino}propanoic acid ChemAxon average_mass 1620.693 ChemAxon mono_mass 1619.71036644 ChemAxon smiles [H]C(C)(CC(O)=O)[C@]1([H])N=C(O)[C@@]([H])(CO)N=C(O)CN=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@@]([H])(C)N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CCCN)N=C(O)CN=C(O)C([H])(N=C(O)[C@]([H])(CC(O)=O)N=C(O)[C@]([H])(CC(O)=N)N=C(O)[C@]([H])(CC2=CNC3=CC=CC=C23)N=C(O)CCCCCCCCC)C([H])(C)OC(=O)[C@]([H])(CC(=O)C2=CC=CC=C2N)N=C1O ChemAxon formula C72H101N17O26 ChemAxon inchi InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35?,36-,37?,43+,44+,45+,46+,47+,48+,49+,50-,60+,61?/m1/s1 ChemAxon inchikey DOAKLVKFURWEDJ-OFNKPWESSA-N ChemAxon polar_surface_area 748.38 ChemAxon refractivity 411.28 ChemAxon polarizability 159.74 ChemAxon rotatable_bond_count 35 ChemAxon acceptor_count 41 ChemAxon donor_count 23 ChemAxon physiological_charge -7 ChemAxon formal_charge 0 ChemAxon 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