(3S,3aS,6aS)-N-[4-azanyl-1-cyclopropyl-3,4-bis(oxidanylidene)butan-2-yl]-2-[(2S)-2-[[(2S)-1-[4,4-dimethyl-2,6-bis(oxidanylidene)piperidin-1-yl]-3,3-dimethyl-butan-2-yl]carbamoylamino]-2-(1-methylcyclohexyl)ethanoyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide

Systemtic Name: (3S,3aS,6aS)-N-[4-azanyl-1-cyclopropyl-3,4-bis(oxidanylidene)butan-2-yl]-2-[(2S)-2-[[(2S)-1-[4,4-dimethyl-2,6-bis(oxidanylidene)piperidin-1-yl]-3,3-dimethyl-butan-2-yl]carbamoylamino]-2-(1-methylcyclohexyl)ethanoyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Openeye Name: (3S,3aS,6aS)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo-propyl]-2-[(2S)-2-[[(1S)-1-[(4,4-dimethyl-2,6-dioxo-1-piperidyl)methyl]-2,2-dimethyl-propyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide CAS Name: (3S,3aS,6aS)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-2-[(2S)-2-[[[[(2S)-1-(4,4-dimethyl-2,6-dioxo-1-piperidinyl)-3,3-dimethylbutan-2-yl]amino]-oxomethyl]amino]-2-(1-methylcyclohexyl)-1-oxoethyl]-3-spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]carboxamide IUPAC Name: (3S,3aS,6aS)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-2-[(2S)-2-[[(2S)-1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Traditional Name: (3S,3aS,6aS)-N-[3-amino-1-(cyclopropylmethyl)-2,3-diketo-propyl]-2-[(2S)-2-[[(1S)-1-[(2,6-diketo-4,4-dimethyl-piperidino)methyl]-2,2-dimethyl-propyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]spiro[1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-6,1'-cyclopropane]-3-carboxamide Formula: C40H62N6O7 MolecularWeight: 738.95628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C(=O)C1)CC(C(C)(C)C)NC(=O)NC(C(=O)N2CC3C(C2C(=O)NC(CC4CC4)C(=O)C(=O)N)CCC35CC5)C6(CCCCC6)C)C

Isomeric SMILES

CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)N)CCC35CC5)C6(CCCCC6)C)C

InChI

InChI=1S/C40H62N6O7/c1-37(2,3)27(22-45-28(47)19-38(4,5)20-29(45)48)43-36(53)44-32(39(6)13-8-7-9-14-39)35(52)46-21-25-24(12-15-40(25)16-17-40)30(46)34(51)42-26(18-23-10-11-23)31(49)33(41)50/h23-27,30,32H,7-22H2,1-6H3,(H2,41,50)(H,42,51)(H2,43,44,53)/t24-,25-,26?,27+,30-,32+/m0/s1