N,N'-Dibenzylethylenediammonio [2S-[2alpha,5alpha,6beta(S*)]]-Bis[6-[(Aminophenylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate]
[CAS# 33276-75-4]

Identification

• Name: N,N'-Dibenzylethylenediammonio [2S-[2alpha,5alpha,6beta(S*)]]-Bis[6-[(Aminophenylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate]
• Synonyms: (2S,5R,6R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-Amino-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; N,N'-Dibenzylethane-1,2-Diamine; (2S,5R,6R)-6-[[(2R)-2-Amino-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-Amino-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; N,N'-Dibenzylethane-1,2-Diamine
• Molecular Formula: C₄₈H₅₈N₈O₈S₂
• Molecular Weight: 939.16
• CAS Registry Number: 33276-75-4
• EINECS: 251-438-6
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)(C)C.[C@H]45SC([C@@H](N4C(=O)[C@H]5NC(=O)[C@H](N)C6=CC=CC=C6)C(=O)O)(C)C.C(NCCNCC7=CC=CC=C7)C8=CC=CC=C8
• InChI: 1S/2C16H19N3O4S.C16H20N2/c2*1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-10,17-18H,11-14H2/t2*9-,10-,11+,14-;/m11./s1
• InChIKey: RHKWJSNGCNASTF-PHGYPNQBSA-N

Properties

• Boiling point: 683.9°C at 760 mmHg (Cal.)
• Flash point: 367.4°C (Cal.)