(6R,7S)-3-Chloro-7-[[4-[[4-[(2,3-Dihydroxybenzoyl)Amino]Butyl][3-[(2,3-Dihydroxybenzoyl)Amino]Propyl]Amino]-1,4-Dioxobutyl]Amino]-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylicacid
[CAS# 134782-23-3]

Identification

• Name: (6R,7S)-3-Chloro-7-[[4-[[4-[(2,3-Dihydroxybenzoyl)Amino]Butyl][3-[(2,3-Dihydroxybenzoyl)Amino]Propyl]Amino]-1,4-Dioxobutyl]Amino]-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylicacid
• Synonyms: (6R,7S)-3-Chloro-7-[[4-[4-[(2,3-Dihydroxybenzoyl)Amino]Butyl-[3-[(2,3-Dihydroxybenzoyl)Amino]Propyl]Amino]-4-Oxo-Butanoyl]Amino]-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-3-Chloro-7-[[4-[4-[[(2,3-Dihydroxyphenyl)-Oxomethyl]Amino]Butyl-[3-[[(2,3-Dihydroxyphenyl)-Oxomethyl]Amino]Propyl]Amino]-1,4-Dioxobutyl]Amino]-8-Oxo-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7S)-3-Chloro-7-[[4-[4-[(2,3-Dihydroxybenzoyl)Amino]Butyl-[3-[(2,3-Dihydroxybenzoyl)Amino]Propyl]Amino]-4-Keto-Butanoyl]Amino]-8-Keto-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₃₃H₃₈ClN₅O₁₁
• Molecular Weight: 716.14
• CAS Registry Number: 134782-23-3
• SMILES: [C@H]14N(C(=O)[C@H]1NC(=O)CCC(=O)N(CCCNC(=O)C2=CC=CC(=C2O)O)CCCCNC(=O)C3=CC=CC(=C3O)O)C(=C(Cl)CC4)C(=O)O
• InChI: 1S/C33H38ClN5O11/c34-20-10-11-21-26(32(48)39(21)27(20)33(49)50)37-24(42)12-13-25(43)38(17-5-15-36-31(47)19-7-4-9-23(41)29(19)45)16-2-1-14-35-30(46)18-6-3-8-22(40)28(18)44/h3-4,6-9,21,26,40-41,44-45H,1-2,5,10-17H2,(H,35,46)(H,36,47)(H,37,42)(H,49,50)/t21-,26+/m1/s1
• InChIKey: JPWNHFIUVFVMIF-RLWLMLJZSA-N

Properties

• Density: 1.562g/cm³ (Cal.)
• Boiling point: 1044.205°C at 760 mmHg (Cal.)
• Flash point: 585.314°C (Cal.)