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

Systemtic Name: (3S,3aS,6aR)-N-[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-yn-3-yl]-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazin-2-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Openeye Name: (3S,3aS,6aR)-N-[1-[2-(allylamino)-2-oxo-acetyl]pent-4-ynyl]-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-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-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-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-[1,2-dioxo-1-(prop-2-enylamino)hept-6-yn-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Traditional Name: (3S,3aS,6aR)-N-[1-[2-(allylamino)-2-keto-acetyl]pent-4-ynyl]-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazinoylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Formula: C37H51N7O6 MolecularWeight: 689.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2CCCC2C1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)NC(=O)C(C3CCCCC3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)NC(=O)[C@H](C3CCCCC3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C37H51N7O6/c1-6-8-17-26(30(45)35(49)40-18-7-2)41-34(48)29-25-16-12-15-24(25)22-44(29)36(50)31(37(3,4)5)43-33(47)28(23-13-10-9-11-14-23)42-32(46)27-21-38-19-20-39-27/h1,7,19-21,23-26,28-29,31H,2,8-18,22H2,3-5H3,(H,40,49)(H,41,48)(H,42,46)(H,43,47)/t24-,25-,26?,28-,29-,31+/m0/s1