[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-(2-azanylethylamino)propylamino]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-(2-azanylethylamino)propylamino]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-(2-aminoethylamino)propylamino]butylamino]butanoate CAS Name: 2-amino-4-[4-[3-(2-aminoethylamino)propylamino]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-(2-aminoethylamino)propylamino]butylamino]butanoate Traditional Name: 2-amino-4-[4-[3-(2-aminoethylamino)propylamino]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: C40H75N5O2 MolecularWeight: 658.0558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H75N5O2/c1-29(2)10-8-11-30(3)34-14-15-35-33-13-12-31-28-32(16-19-39(31,4)36(33)17-20-40(34,35)5)47-38(46)37(42)18-26-44-23-7-6-22-43-24-9-25-45-27-21-41/h12,29-30,32-37,43-45H,6-11,13-28,41-42H2,1-5H3