L-Arginine [2S-[2alpha,5alpha,6beta(S*)]]-6-[Amino(4-Hydroxyphenyl)Acetamido]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS 59261-05-1]

Identification

• Name: L-Arginine [2S-[2alpha,5alpha,6beta(S*)]]-6-[Amino(4-Hydroxyphenyl)Acetamido]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: (2S)-2-Amino-5-Guanidino-Pentanoic Acid; (5S,6S)-6-[[2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S)-2-Amino-5-Guanidinopentanoic Acid; (5S,6S)-6-[[2-Amino-2-(4-Hydroxyphenyl)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S)-2-Amino-5-Guanidino-Valeric Acid; (5S,6S)-6-[[2-Amino-2-(4-Hydroxyphenyl)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₃₃N₇O₇S
• Molecular Weight: 539.61
• CAS Registry Number: 59261-05-1
• EINECS: 261-680-4
• SMILES: [C@@H]12SC(C(N1C(=O)[C@@H]2NC(=O)C(N)C3=CC=C(O)C=C3)C(O)=O)(C)C.[C@H](N)(CCCN=C(N)N)C(O)=O
• InChI: 1S/C16H19N3O5S.C6H14N4O2/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;7-4(5(11)12)2-1-3-10-6(8)9/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t9?,10-,11?,14-;4-/m00/s1
• InChIKey: GMJWAEBOPBLHBW-KZYOBBJWSA-N

Properties

• Boiling point: 743.2°C at 760 mmHg (Cal.)
• Flash point: 403.3°C (Cal.)