(2Z,4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-N-[3-({[(2Z)-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-5-methyl-1,3-oxazolidin-4-yl]carbonyl} amino)propyl]-5-methyl-1,3-oxazolidine-4-carboxamide
[CAS# 88217-23-6]

Identification

• Name: (2Z,4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-N-[3-({[(2Z)-2-(5-hydroxy-6-oxo-2,4-cyclohexadien-1-ylidene)-5-methyl-1,3-oxazolidin-4-yl]carbonyl} amino)propyl]-5-methyl-1,3-oxazolidine-4-carboxamide
• Synonyms: 4-Oxazolecarboxamide, N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-2-(2,3-dihydroxyphenyl)-N-(3-(((2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-4-oxazolyl)carbonyl)amino)propyl)-4,5-dihydro-5-methyl-, (4S-(4α(4R*,5S*),5β))-; Ferric vibriobactin
• Molecular Formula: C₃₅H₃₉N₅O₁₁
• Molecular Weight: 705.71
• CAS Registry Number: 88217-23-6
• SMILES: O=C(NCCCN(C(=O)[C@H]1NC(\O[C@@H]1C)=C2/C=C\C=C(\O)C2=O)CCCNC(=O)c3cccc(O)c3O)C4NC(\OC4C)=C5/C=C\C=C(\O)C5=O
• InChI: 1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,38-39,41-44H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/b33-21-,34-22-/t18?,19-,26?,27+/m1/s1
• InChIKey: SNUNDXZQRUCXRW-KDUQSJINSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 1056.908°C at 760 mmHg (Cal.)
• Flash point: 592.997°C (Cal.)