tert-butyl N-[2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl]-N-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl]-N-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-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]oxycarbonylamino]ethyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate CAS Name: N-[2-[[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxomethyl]amino]ethyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]ethyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate Traditional Name: N-[2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-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]oxycarbonylamino]ethyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamic acid tert-butyl ester Formula: C43H76N2O8 MolecularWeight: 749.07214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCN(CCOCCOCCOCCO)C(=O)OC(C)(C)C)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCN(CCOCCOCCOCCO)C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C43H76N2O8/c1-31(2)10-9-11-32(3)36-14-15-37-35-13-12-33-30-34(16-18-42(33,7)38(35)17-19-43(36,37)8)52-39(47)44-20-21-45(40(48)53-41(4,5)6)22-24-49-26-28-51-29-27-50-25-23-46/h12,31-32,34-38,46H,9-11,13-30H2,1-8H3,(H,44,47)/t32-,34+,35+,36-,37+,38+,42+,43-/m1/s1