Sodium [2S-[2alpha,5alpha,6beta(S*)]]-6-[[[(3-Methoxy-1-Methyl-3-Oxoprop-1-Enyl)Amino]Phenylacetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 64099-47-4]

Identification

• Name: Sodium [2S-[2alpha,5alpha,6beta(S*)]]-6-[[[(3-Methoxy-1-Methyl-3-Oxoprop-1-Enyl)Amino]Phenylacetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium (2S,5R,6R)-6-[[2-[[(E)-3-Methoxy-1-Methyl-3-Oxo-Prop-1-Enyl]Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-6-[[2-[[(E)-3-Methoxy-1-Methyl-3-Oxoprop-1-Enyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-7-Keto-6-[[2-[[(E)-3-Keto-3-Methoxy-1-Methyl-Prop-1-Enyl]Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₁H₂₄N₃NaO₆S
• Molecular Weight: 469.49
• CAS Registry Number: 64099-47-4
• EINECS: 264-672-9
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=C/C(OC)=O)/C)C3=CC=CC=C3)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C21H25N3O6S.Na/c1-11(10-13(25)30-4)22-14(12-8-6-5-7-9-12)17(26)23-15-18(27)24-16(20(28)29)21(2,3)31-19(15)24;/h5-10,14-16,19,22H,1-4H3,(H,23,26)(H,28,29);/q;+1/p-1/b11-10+;/t14?,15-,16+,19-;/m1./s1
• InChIKey: YOITVZNCTOLWBV-FIFSFEKOSA-M

Properties

• Boiling point: 751.9°C at 760 mmHg (Cal.)
• Flash point: 408.5°C (Cal.)