2-[4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentylamino]propanoic acid CAS Name: 3-phenyl-2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentylamino]propanoic acid IUPAC Name: 3-phenyl-2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentylamino]propanoic acid Traditional Name: 3-phenyl-2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentylamino]propionic acid Formula: C33H51NO5 MolecularWeight: 541.76174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(CC1=CC=CC=C1)C(=O)O)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O)C)O)O)C

Isomeric SMILES

CC(CCCNC(CC1=CC=CC=C1)C(=O)O)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O)C)O)O)C

InChI

InChI=1S/C33H51NO5/c1-20(8-7-15-34-27(31(38)39)16-21-9-5-4-6-10-21)24-11-12-25-30-26(19-29(37)33(24,25)3)32(2)14-13-23(35)17-22(32)18-28(30)36/h4-6,9-10,20,22-30,34-37H,7-8,11-19H2,1-3H3,(H,38,39)