(1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-Cyclohexyl-2-(Pyrazine-2-Carbonylamino)Acetyl]Amino]-3,3-Dimethylbutanoyl]-N-[1-(Cyclopropylamino)-1,2-Dioxohexan-3-Yl]-3,3a,4,5,6,6alpha-Hexahydro-1H-Cyclopenta[c]Pyrrole-1-Carboxamide
[CAS# 569364-34-7]

Identification

• Name: (1S,3aR,6aS)-2-[(2S)-2-[[(2S)-2-Cyclohexyl-2-(Pyrazine-2-Carbonylamino)Acetyl]Amino]-3,3-Dimethylbutanoyl]-N-[1-(Cyclopropylamino)-1,2-Dioxohexan-3-Yl]-3,3a,4,5,6,6alpha-Hexahydro-1H-Cyclopenta[c]Pyrrole-1-Carboxamide
• Synonyms: (1S,3Ar,6As)-2-[(2S)-2-[[(2S)-2-Cyclohexyl-2-(Pyrazine-2-Carbonylamino)Acetyl]Amino]-3,3-Dimethyl-Butanoyl]-N-[1-[2-(Cyclopropylamino)-2-Oxo-Acetyl]Butyl]-3,3A,4,5,6,6A-Hexahydro-1H-Cyclopenta[C]Pyrrole-1-Carboxamide; (1S,3Ar,6As)-2-[(2S)-2-[[(2S)-2-Cyclohexyl-1-Oxo-2-[[Oxo-(2-Pyrazinyl)Methyl]Amino]Ethyl]Amino]-3,3-Dimethyl-1-Oxobutyl]-N-[1-[2-(Cyclopropylamino)-1,2-Dioxoethyl]Butyl]-3,3A,4,5,6,6A-Hexahydro-1H-Cyclopenta[C]Pyrrole-1-Carboxamide; (1S,3Ar,6As)-2-[(2S)-2-[[(2S)-2-Cyclohexyl-2-(Pyrazine-2-Carbonylamino)Acetyl]Amino]-3,3-Dimethyl-Butanoyl]-N-[1-[2-(Cyclopropylamino)-2-Keto-Acetyl]Butyl]-3,3A,4,5,6,6A-Hexahydro-1H-Cyclopenta[C]Pyrrole-1-Carboxamide
• Molecular Formula: C₃₆H₅₃N₇O₆
• Molecular Weight: 679.86
• CAS Registry Number: 569364-34-7
• SMILES: [C@H]12CCC[C@H]1CN([C@@H]2C(=O)NC(C(=O)C(NC3CC3)=O)CCC)C([C@H](C(C)(C)C)NC([C@@H](NC(C4=NC=CN=C4)=O)C5CCCCC5)=O)=O
• InChI: 1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25?,27-,28-,30+/m0/s1
• InChIKey: BBAWEDCPNXPBQM-IGSHNTALSA-N

Properties

• Density: 1.254g/cm³ (Cal.)