(17-heptan-2-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) N-[2-[2,5-bis(azanyl)pentanoylamino]ethyl]carbamate

Systemtic Name: (17-heptan-2-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) N-[2-[2,5-bis(azanyl)pentanoylamino]ethyl]carbamate Openeye Name: [10,13-dimethyl-17-(1-methylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-(2,5-diaminopentanoylamino)ethyl]carbamate CAS Name: N-[2-[(2,5-diamino-1-oxopentyl)amino]ethyl]carbamic acid (17-heptan-2-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (17-heptan-2-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) N-[2-(2,5-diaminopentanoylamino)ethyl]carbamate Traditional Name: N-[2-(2,5-diaminopentanoylamino)ethyl]carbamic acid [10,13-dimethyl-17-(1-methylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C34H60N4O3 MolecularWeight: 572.8652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCNC(=O)C(CCCN)N)C)C

Isomeric SMILES

CCCCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCNC(=O)C(CCCN)N)C)C

InChI

InChI=1S/C34H60N4O3/c1-5-6-7-9-23(2)27-13-14-28-26-12-11-24-22-25(15-17-33(24,3)29(26)16-18-34(27,28)4)41-32(40)38-21-20-37-31(39)30(36)10-8-19-35/h11,23,25-30H,5-10,12-22,35-36H2,1-4H3,(H,37,39)(H,38,40)