[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] 2-azanyl-4-[4-(3-azanylpropylamino)butylamino]butanoate

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] 2-azanyl-4-[4-(3-azanylpropylamino)butylamino]butanoate 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] 2-amino-4-[4-(3-aminopropylamino)butylamino]butanoate CAS Name: 2-amino-4-[4-(3-aminopropylamino)butylamino]butanoic 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] 2-amino-4-[4-(3-aminopropylamino)butylamino]butanoate Traditional Name: 2-amino-4-[4-(3-aminopropylamino)butylamino]butyric 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: C38H70N4O2 MolecularWeight: 614.988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H70N4O2/c1-27(2)10-8-11-28(3)32-14-15-33-31-13-12-29-26-30(16-19-37(29,4)34(31)17-20-38(32,33)5)44-36(43)35(40)18-25-42-23-7-6-22-41-24-9-21-39/h12,27-28,30-35,41-42H,6-11,13-26,39-40H2,1-5H3