(Z,3S)-3-[[(2R)-2-[5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]Pentanoylamino]-3-Phenylpropanoyl]Amino]-1-Diazonio-4-(Phenylmethylsulfanyl)But-1-En-2-Olate
[CAS 153512-31-3]

Identification

• Name: (Z,3S)-3-[[(2R)-2-[5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]Pentanoylamino]-3-Phenylpropanoyl]Amino]-1-Diazonio-4-(Phenylmethylsulfanyl)But-1-En-2-Olate
• Synonyms: (Z,3S)-3-[[(2R)-2-[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]-3-Phenyl-Propanoyl]Amino]-1-Diazonio-4-(Phenylmethylsulfanyl)But-1-En-2-Olate; (Z,3S)-3-[[(2R)-2-[[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Diazonio-4-(Phenylmethylthio)But-1-En-2-Olate; (Z,3S)-3-[[(2R)-2-[5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]-3-Phenyl-Propanoyl]Amino]-4-(Benzylthio)-1-Diazonio-But-1-En-2-Olate
• Molecular Formula: C₃₀H₃₆N₆O₄S₂
• Molecular Weight: 608.77
• CAS Registry Number: 153512-31-3
• SMILES: [C@@H]12[C@@H](NC(N1)=O)CS[C@H]2CCCCC(N[C@@H](C(=O)N[C@H](CSCC3=CC=CC=C3)C(C=[N+]=[N-])=O)CC4=CC=CC=C4)=O
• InChI: 1S/C30H36N6O4S2/c31-32-16-25(37)23(18-41-17-21-11-5-2-6-12-21)34-29(39)22(15-20-9-3-1-4-10-20)33-27(38)14-8-7-13-26-28-24(19-42-26)35-30(40)36-28/h1-6,9-12,16,22-24,26,28H,7-8,13-15,17-19H2,(H,33,38)(H,34,39)(H2,35,36,40)/t22-,23-,24+,26+,28+/m1/s1
• InChIKey: ZEKQWXKIQDYVRU-IEUBEDNZSA-N