7-((N(5)-Acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-4-hydroxyphenylglycyl)amino)-3-chloro-1-carba-3-cephem-4-carboxylic acid
[CAS# 124620-50-4]

Identification

• Name: 7-((N(5)-Acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-N(5)-acetyl-N(5)-hydroxyornithyl-4-hydroxyphenylglycyl)amino)-3-chloro-1-carba-3-cephem-4-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]-1-(4-Hydroxyphenyl)-2-Oxo-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]-1-(4-Hydroxyphenyl)-2-Oxoethyl]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]-1-(4-Hydroxyphenyl)-2-Keto-Ethyl]Amino]-3-Chloro-8-Keto-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₃₇H₅₂ClN₉O₁₄
• Molecular Weight: 882.32
• CAS Registry Number: 124620-50-4
• 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=C(O)C=C2)C(=O)[C@@H](N)CCCN(O)C(=O)C)C(=C(Cl)CC3)C(=O)O
• InChI: 1S/C37H52ClN9O14/c1-19(48)42(59)16-4-7-25(39)32(52)46(31-28-15-14-24(38)30(37(57)58)45(28)36(31)56)29(22-10-12-23(51)13-11-22)35(55)47(33(53)26(40)8-5-17-43(60)20(2)49)34(54)27(41)9-6-18-44(61)21(3)50/h10-13,25-29,31,51,59-61H,4-9,14-18,39-41H2,1-3H3,(H,57,58)/t25-,26-,27-,28+,29-,31?/m0/s1
• InChIKey: BYWCMJGUZFWZBL-XZZUKVBXSA-N

Properties

• Density: 1.556g/cm³ (Cal.)
• Boiling point: 1116.028°C at 760 mmHg (Cal.)
• Flash point: 628.751°C (Cal.)