[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]carbonylamino]butanoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 4-[[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]carbonylamino]butanoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) 4-[[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carbonyl]amino]butanoate CAS Name: 4-[[[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-4a-yl]-oxomethyl]amino]butanoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 4-[[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carbonyl]amino]butanoate Traditional Name: 4-[[(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-10,14-diketo-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carbonyl]amino]butyric acid succinimido ester Formula: C39H51N3O7 MolecularWeight: 673.83814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)NCCCC(=O)ON6C(=O)CCC6=O)C

Isomeric SMILES

C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)NCCCC(=O)ON6C(=O)CCC6=O

InChI

InChI=1S/C39H51N3O7/c1-34(2)14-16-39(33(48)41-18-8-9-30(46)49-42-28(44)10-11-29(42)45)17-15-38(7)31(24(39)21-34)25(43)19-27-36(5)20-23(22-40)32(47)35(3,4)26(36)12-13-37(27,38)6/h19-20,24,26,31H,8-18,21H2,1-7H3,(H,41,48)/t24-,26-,31-,36-,37+,38+,39-/m0/s1