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

Systemtic Name: (3S,3aS,6aR)-N-[(3R)-1-[[(2R)-butan-2-yl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(pyrazin-2-ylcarbonylamino)pentanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Openeye Name: (3S,3aS,6aR)-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butanoyl]-N-[(1R)-1-[2-[[(1R)-1-methylpropyl]amino]-2-oxo-acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide CAS Name: (3S,3aS,6aR)-N-[(3R)-1-[[(2R)-butan-2-yl]amino]-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]pentyl]amino]-1-oxobutyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide IUPAC Name: (3S,3aS,6aR)-N-[(3R)-1-[[(2R)-butan-2-yl]amino]-1,2-dioxohexan-3-yl]-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Traditional Name: (3S,3aS,6aR)-2-[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(pyrazinoylamino)pentanoyl]amino]butanoyl]-N-[(1R)-1-[2-keto-2-[[(1R)-1-methylpropyl]amino]acetyl]butyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide Formula: C35H55N7O6 MolecularWeight: 669.8545

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NC(C)CC)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)C(C(C)CC)NC(=O)C3=NC=CN=C3

Isomeric SMILES

CCC[C@H](C(=O)C(=O)N[C@H](C)CC)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)CC)NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C35H55N7O6/c1-9-13-24(28(43)33(47)38-21(5)11-3)39-32(46)27-23-15-12-14-22(23)19-42(27)34(48)29(35(6,7)8)41-31(45)26(20(4)10-2)40-30(44)25-18-36-16-17-37-25/h16-18,20-24,26-27,29H,9-15,19H2,1-8H3,(H,38,47)(H,39,46)(H,40,44)(H,41,45)/t20?,21-,22+,23+,24-,26+,27+,29-/m1/s1