(6R)-7-[[(2S)-5-(Acetyl-Hydroxyamino)-2-Aminopentanoyl]-[(1S)-2-[Bis[(2S)-5-(Acetyl-Hydroxyamino)-2-Aminopentanoyl]Amino]-2-Oxo-1-Phenylethyl]Amino]-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 124650-78-8]

Identification

• Name: (6R)-7-[[(2S)-5-(Acetyl-Hydroxyamino)-2-Aminopentanoyl]-[(1S)-2-[Bis[(2S)-5-(Acetyl-Hydroxyamino)-2-Aminopentanoyl]Amino]-2-Oxo-1-Phenylethyl]Amino]-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R)-7-[[(2S)-5-(Acetyl-Hydroxy-Amino)-2-Amino-Pentanoyl]-[(1S)-2-[Bis[(2S)-5-(Acetyl-Hydroxy-Amino)-2-Amino-Pentanoyl]Amino]-2-Oxo-1-Phenyl-Ethyl]Amino]-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R)-7-[[(2S)-5-(Acetyl-Hydroxyamino)-2-Amino-1-Oxopentyl]-[(1S)-2-[Bis[(2S)-5-(Acetyl-Hydroxyamino)-2-Amino-1-Oxopentyl]Amino]-2-Oxo-1-Phenylethyl]Amino]-3-Chloro-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R)-7-[[(2S)-5-(Acetyl-Hydroxy-Amino)-2-Amino-Pentanoyl]-[(1S)-2-[Bis[(2S)-5-(Acetyl-Hydroxy-Amino)-2-Amino-Pentanoyl]Amino]-2-Keto-1-Phenyl-Ethyl]Amino]-3-Chloro-8-Keto-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₃₇H₅₂ClN₉O₁₃
• Molecular Weight: 866.32
• CAS Registry Number: 124650-78-8
• SMILES: [C@H]13N(C(=O)C1N([C@H](C(=O)N(C(=O)[C@@H](N)CCCN(O)C(=O)C)C(=O)[C@@H](N)CCCN(O)C(=O)C)C2=CC=CC=C2)C(=O)[C@@H](N)CCCN(O)C(=O)C)C(=C(Cl)CC3)C(=O)O
• InChI: 1S/C37H52ClN9O13/c1-20(48)42(58)17-7-12-25(39)32(51)46(31-28-16-15-24(38)30(37(56)57)45(28)36(31)55)29(23-10-5-4-6-11-23)35(54)47(33(52)26(40)13-8-18-43(59)21(2)49)34(53)27(41)14-9-19-44(60)22(3)50/h4-6,10-11,25-29,31,58-60H,7-9,12-19,39-41H2,1-3H3,(H,56,57)/t25-,26-,27-,28+,29-,31?/m0/s1
• InChIKey: DQOXUGOXTGBEFM-XZZUKVBXSA-N

Properties

• Density: 1.519g/cm³ (Cal.)
• Boiling point: 1082.306°C at 760 mmHg (Cal.)
• Flash point: 608.357°C (Cal.)