2-[carboxymethyl-[4-[10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[4-[10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoyl]amino]acetic acid Formula: C28H45NO7 MolecularWeight: 507.6594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N(CC(=O)O)CC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

Isomeric SMILES

CC(CCC(=O)N(CC(=O)O)CC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

InChI

InChI=1S/C28H45NO7/c1-16(4-7-23(32)29(14-24(33)34)15-25(35)36)19-5-6-20-26-21(9-11-28(19,20)3)27(2)10-8-18(30)12-17(27)13-22(26)31/h16-22,26,30-31H,4-15H2,1-3H3,(H,33,34)(H,35,36)