4-azanyl-5-[[(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[(3S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[(3S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-keto-valeric acid Formula: C32H53NO4 MolecularWeight: 515.76752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C(CCC(=O)O)N)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C(CCC(=O)O)N)C)C

InChI

InChI=1S/C32H53NO4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(37-30(36)28(33)13-14-29(34)35)15-17-31(22,4)27(24)16-18-32(25,26)5/h9,20-21,23-28H,6-8,10-19,33H2,1-5H3,(H,34,35)/t21-,23+,24?,25-,26+,27+,28?,31+,32-/m1/s1