[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2,4-bis(3-azanylpropylamino)butanoylamino]ethyl]carbamate

Systemtic Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2,4-bis(3-azanylpropylamino)butanoylamino]ethyl]carbamate Openeye Name: [17-(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] N-[2-[2,4-bis(3-aminopropylamino)butanoylamino]ethyl]carbamate CAS Name: N-[2-[[2,4-bis(3-aminopropylamino)-1-oxobutyl]amino]ethyl]carbamic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2,4-bis(3-aminopropylamino)butanoylamino]ethyl]carbamate Traditional Name: N-[2-[2,4-bis(3-aminopropylamino)butanoylamino]ethyl]carbamic acid [17-(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] ester Formula: C40H74N6O3 MolecularWeight: 687.05396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCNC(=O)C(CCNCCCN)NCCCN)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCNC(=O)C(CCNCCCN)NCCCN)C)C

InChI

InChI=1S/C40H74N6O3/c1-28(2)9-6-10-29(3)33-13-14-34-32-12-11-30-27-31(15-18-39(30,4)35(32)16-19-40(33,34)5)49-38(48)46-26-25-45-37(47)36(44-23-8-21-42)17-24-43-22-7-20-41/h11,28-29,31-36,43-44H,6-10,12-27,41-42H2,1-5H3,(H,45,47)(H,46,48)