2,5-bis(3-azanylpropylamino)-N-[(8S,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]pentanamide

Systemtic Name: 2,5-bis(3-azanylpropylamino)-N-[(8S,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]pentanamide Openeye Name: 2,5-bis(3-aminopropylamino)-N-[(8S,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]pentanamide CAS Name: 2,5-bis(3-aminopropylamino)-N-[(8S,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]pentanamide IUPAC Name: 2,5-bis(3-aminopropylamino)-N-[(8S,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]pentanamide Traditional Name: 2,5-bis(3-aminopropylamino)-N-[(8S,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]valeramide Formula: C38H71N5O MolecularWeight: 614.00324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC(=O)C(CCCNCCCN)NCCCN)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)NC(=O)C(CCCNCCCN)NCCCN)C)C

InChI

InChI=1S/C38H71N5O/c1-27(2)10-6-11-28(3)32-15-16-33-31-14-13-29-26-30(17-19-37(29,4)34(31)18-20-38(32,33)5)43-36(44)35(42-25-9-22-40)12-7-23-41-24-8-21-39/h13,27-28,30-35,41-42H,6-12,14-26,39-40H2,1-5H3,(H,43,44)/t28-,30?,31+,32-,33+,34+,35?,37+,38-/m1/s1