Sodium (2S,5R,6R)-6-[[(2R)-2-(3,4-Dihydroxyphenyl)-2-[[Methyl-(4-Phenylbenzoyl)Carbamoyl]Amino]Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 106135-38-0]

Identification

• Name: Sodium (2S,5R,6R)-6-[[(2R)-2-(3,4-Dihydroxyphenyl)-2-[[Methyl-(4-Phenylbenzoyl)Carbamoyl]Amino]Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium (2S,5R,6R)-6-[[(2R)-2-(3,4-Dihydroxyphenyl)-2-[[[Methyl-[Oxo-(4-Phenylphenyl)Methyl]Amino]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-6-[[(2R)-2-(3,4-Dihydroxyphenyl)-2-[[Methyl-(4-Phenylbenzoyl)Carbamoyl]Amino]Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-6-[[(2R)-2-(3,4-Dihydroxyphenyl)-2-[[Methyl-(4-Phenylphenyl)Carbonyl-Carbamoyl]Amino]Ethanoyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₃₁H₂₉N₄NaO₈S
• Molecular Weight: 640.64
• CAS Registry Number: 106135-38-0
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N(C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C)C5=CC(=C(O)C=C5)O)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C31H30N4O8S.Na/c1-31(2)24(29(41)42)35-27(40)23(28(35)44-31)32-25(38)22(19-13-14-20(36)21(37)15-19)33-30(43)34(3)26(39)18-11-9-17(10-12-18)16-7-5-4-6-8-16;/h4-15,22-24,28,36-37H,1-3H3,(H,32,38)(H,33,43)(H,41,42);/q;+1/p-1/t22-,23-,24+,28-;/m1./s1
• InChIKey: QLLQREKOSBDHPL-LUWPLTNYSA-M