(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazin-2-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(3S)-1-(morpholin-4-ylamino)-1,2-bis(oxidanylidene)hexan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Systemtic Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazin-2-ylcarbonylamino)ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(3S)-1-(morpholin-4-ylamino)-1,2-bis(oxidanylidene)hexan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide Openeye Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-(morpholinoamino)-2-oxo-acetyl]butyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide CAS Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(3S)-1-(4-morpholinylamino)-1,2-dioxohexan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(morpholin-4-ylamino)-1,2-dioxohexan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide Traditional Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazinoylamino)acetyl]amino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[2-keto-2-(morpholinoamino)acetyl]butyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide Formula: C38H58N8O7 MolecularWeight: 738.91652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NN1CCOCC1)NC(=O)C2CC3CCCCC3N2C(=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)NN1CCOCC1)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C38H58N8O7/c1-5-11-26(31(47)36(51)44-45-18-20-53-21-19-45)41-34(49)29-22-25-14-9-10-15-28(25)46(29)37(52)32(38(2,3)4)43-35(50)30(24-12-7-6-8-13-24)42-33(48)27-23-39-16-17-40-27/h16-17,23-26,28-30,32H,5-15,18-22H2,1-4H3,(H,41,49)(H,42,48)(H,43,50)(H,44,51)/t25-,26-,28-,29-,30-,32+/m0/s1