(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazin-2-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(3S)-1-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

Systemtic Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazin-2-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(3S)-1-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Openeye Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-[[(1S)-1-methyl-2-(p-tolyl)ethyl]amino]-2-oxo-acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide CAS Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(3S)-1-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide IUPAC Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-[[(2S)-1-(4-methylphenyl)propan-2-yl]amino]-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Traditional Name: (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazinoylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-keto-2-[[(1S)-1-methyl-2-(p-tolyl)ethyl]amino]acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Formula: C43H61N7O6 MolecularWeight: 771.98774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NC(C)CC1=CC=C(C=C1)C)NC(=O)C2C3CCCC3CN2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5=NC=CN=C5

Isomeric SMILES

CCC[C@@H](C(=O)C(=O)N[C@@H](C)CC1=CC=C(C=C1)C)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C43H61N7O6/c1-7-12-32(36(51)41(55)46-27(3)23-28-19-17-26(2)18-20-28)47-40(54)35-31-16-11-15-30(31)25-50(35)42(56)37(43(4,5)6)49-39(53)34(29-13-9-8-10-14-29)48-38(52)33-24-44-21-22-45-33/h17-22,24,27,29-32,34-35,37H,7-16,23,25H2,1-6H3,(H,46,55)(H,47,54)(H,48,52)(H,49,53)/t27-,30-,31-,32-,34-,35-,37+/m0/s1