(3S)-3-azanyl-4-[(2E)-2-[(8R,9S,13S,14S)-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazinyl]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[(2E)-2-[(8R,9S,13S,14S)-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazinyl]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[(2E)-2-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[(2E)-2-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazinyl]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[(2E)-2-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazinyl]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[(N'E)-N'-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]hydrazino]-4-keto-butyric acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=NNC(=O)C(CC(=O)O)N)CCC4=C3C=CC(=C4)O

Isomeric SMILES

C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N\NC(=O)[C@H](CC(=O)O)N)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H29N3O4/c1-22-9-8-15-14-5-3-13(26)10-12(14)2-4-16(15)17(22)6-7-19(22)24-25-21(29)18(23)11-20(27)28/h3,5,10,15-18,26H,2,4,6-9,11,23H2,1H3,(H,25,29)(H,27,28)/b24-19+/t15-,16-,17+,18+,22+/m1/s1