[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] 4-[2-[2-[bis[2-[bis(azanyl)methylideneamino]ethoxy]phosphorylamino]ethoxy]ethyliminomethyl]benzoate

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] 4-[2-[2-[bis[2-[bis(azanyl)methylideneamino]ethoxy]phosphorylamino]ethoxy]ethyliminomethyl]benzoate 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] 4-[2-[2-[bis(2-guanidinoethoxy)phosphorylamino]ethoxy]ethyliminomethyl]benzoate CAS Name: 4-[2-[2-[bis[2-(diaminomethylideneamino)ethoxy]phosphorylamino]ethoxy]ethyliminomethyl]benzoic 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] 4-[2-[2-[bis[2-(diaminomethylideneamino)ethoxy]phosphorylamino]ethoxy]ethyliminomethyl]benzoate Traditional Name: 4-[2-[2-[bis(2-guanidinoethoxy)phosphorylamino]ethoxy]ethyliminomethyl]benzoic 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: C45H75N8O6P MolecularWeight: 855.100761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)C=NCCOCCNP(=O)(OCCN=C(N)N)OCCN=C(N)N)C)C

Isomeric SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)C=NCCOCCNP(=O)(OCCN=C(N)N)OCCN=C(N)N)C)C

InChI

InChI=1S/C45H75N8O6P/c1-31(2)7-6-8-32(3)38-15-16-39-37-14-13-35-29-36(17-19-44(35,4)40(37)18-20-45(38,39)5)59-41(54)34-11-9-33(10-12-34)30-50-21-25-56-26-24-53-60(55,57-27-22-51-42(46)47)58-28-23-52-43(48)49/h9-13,30-32,36-40H,6-8,14-29H2,1-5H3,(H,53,55)(H4,46,47,51)(H4,48,49,52)