4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-2-oxidanylidene-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbonylamino]-2-oxidanylidene-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1-tert-butoxycarbonylpiperidine-4-carbonyl)amino]-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 4-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-[(1-tert-butoxycarbonylisonipecotoyl)amino]-1-isopropyl-2-keto-5a,5b,8,8,11a-pentamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxy]-4-keto-2,2-dimethyl-butyric acid Formula: C46H72N2O8 MolecularWeight: 781.07248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC1=O)NC(=O)C6CCN(CC6)C(=O)OC(C)(C)C)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C

Isomeric SMILES

CC(C)C1=C2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC1=O)NC(=O)C6CCN(CC6)C(=O)OC(C)(C)C)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C

InChI

InChI=1S/C46H72N2O8/c1-27(2)35-30(49)25-46(47-37(51)28-17-23-48(24-18-28)39(54)56-40(3,4)5)22-21-44(11)29(36(35)46)13-14-32-43(10)19-16-33(55-34(50)26-41(6,7)38(52)53)42(8,9)31(43)15-20-45(32,44)12/h27-29,31-33H,13-26H2,1-12H3,(H,47,51)(H,52,53)/t29-,31+,32-,33+,43+,44-,45-,46-/m1/s1