1.0 2026-09-22 20:57:52 UTC 2026-09-22 20:57:52 UTC FDB118871 Didemnin B C57H89N7O15 1112.373 1111.641665194 (2R)-N-[(3S,6R,7S,10R,11S,15S,17R,20S,25aS)-10-[(2S)-butan-2-yl]-8,11,18-trihydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-15-(propan-2-yl)-1H,2H,3H,4H,6H,7H,10H,11H,12H,13H,15H,16H,17H,20H,21H,23H,24H,25H,25aH-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]-N-methylformamido}-4-methylpentanimidic acid (2R)-N-[(3S,6R,7S,10R,11S,15S,17R,20S,25aS)-10-[(2S)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3H,6H,7H,10H,11H,12H,15H,17H,20H,23H,24H,25H,25aH-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]-N-methylformamido}-4-methylpentanimidic acid [H][C@@](C)(O)C(=O)N1CCC[C@@]1([H])C(=O)N(C)[C@]([H])(CC(C)C)C(O)=N[C@]1([H])C(O)=N[C@]([H])([C@@]([H])(C)CC)[C@@]([H])(O)CC(=O)O[C@@]([H])(C(C)C)C(=O)[C@]([H])(C)C(O)=N[C@@]([H])(CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N(C)[C@@]([H])(CC2=CC=C(OC)C=C2)C(=O)O[C@]1([H])C InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1 KYHUYMLIVQFXRI-SJPGYWQQSA-N belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Cyclic depsipeptides Organic compounds Organic acids and derivatives Peptidomimetics Depsipeptides Aromatic heteropolycyclic compounds Alkyl aryl ethers Alpha amino acid amides Alpha amino acid esters Alpha-acyloxy ketones Anisoles Azacyclic compounds Carboxylic acid esters Cyclic carboximidic acids Cyclic ketones Dicarboxylic acids and derivatives Hydrocarbon derivatives Lactams Lactones Macrolactams Macrolide lactams Methoxybenzenes N-acylpyrrolidines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Phenoxy compounds Polyols Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidinecarboxamides Secondary alcohols Tertiary carboxylic acid amides Alcohol Alkyl aryl ether Alpha-acyloxy ketone Alpha-amino acid amide Alpha-amino acid ester Alpha-amino acid or derivatives Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboximidic acid Carboximidic acid derivative Carboxylic acid derivative Carboxylic acid ester Cyclic carboximidic acid Cyclic depsipeptide Cyclic ketone Dicarboxylic acid or derivatives Ether Hydrocarbon derivative Ketone Lactam Lactone Macrolactam Macrolide lactam Methoxybenzene Monocyclic benzene moiety N-acylpyrrolidine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenol ether Phenoxy compound Polyol Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary alcohol Tertiary carboxylic acid amide cyclodepsipeptide logp 3.43 ALOGPS logs -4.76 ALOGPS solubility 1.93e-02 g/l ALOGPS logp 5.06 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic 3.82 ChemAxon iupac (2R)-N-[(3S,6R,7S,10R,11S,15S,17R,20S,25aS)-10-[(2S)-butan-2-yl]-8,11,18-trihydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-15-(propan-2-yl)-1H,2H,3H,4H,6H,7H,10H,11H,12H,13H,15H,16H,17H,20H,21H,23H,24H,25H,25aH-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]-N-methylformamido}-4-methylpentanimidic acid ChemAxon average_mass 1112.373 ChemAxon mono_mass 1111.641665194 ChemAxon smiles [H][C@@](C)(O)C(=O)N1CCC[C@@]1([H])C(=O)N(C)[C@]([H])(CC(C)C)C(O)=N[C@]1([H])C(O)=N[C@]([H])([C@@]([H])(C)CC)[C@@]([H])(O)CC(=O)O[C@@]([H])(C(C)C)C(=O)[C@]([H])(C)C(O)=N[C@@]([H])(CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N(C)[C@@]([H])(CC2=CC=C(OC)C=C2)C(=O)O[C@]1([H])C ChemAxon formula C57H89N7O15 ChemAxon inchi InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1 ChemAxon inchikey KYHUYMLIVQFXRI-SJPGYWQQSA-N ChemAxon polar_surface_area 298.37 ChemAxon refractivity 290.55 ChemAxon polarizability 118.29 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 16 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon