6-(2-(3-(2-Chloro-3,4-Dihydroxybenzoyl)-3-(3-Hydroxypropyl)-1-Ureido)-2-Phenylacetamido)Penicillanic Acid
[CAS# 92773-65-4]

Identification

• Name: 6-(2-(3-(2-Chloro-3,4-Dihydroxybenzoyl)-3-(3-Hydroxypropyl)-1-Ureido)-2-Phenylacetamido)Penicillanic Acid
• Synonyms: (2S,5R,6R)-6-[[(2R)-2-[[(2-Chloro-3,4-Dihydroxy-Benzoyl)-(3-Hydroxypropyl)Carbamoyl]Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[(2R)-2-[[[[(2-Chloro-3,4-Dihydroxyphenyl)-Oxomethyl]-(3
• Molecular Formula: C₂₇H₂₉ClN₄O₉S
• Molecular Weight: 621.06
• CAS Registry Number: 92773-65-4
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N(C(=O)C3=C(Cl)C(=C(O)C=C3)O)CCCO)C4=CC=CC=C4)C(=O)O)(C)C
• InChI: 1S/C27H29ClN4O9S/c1-27(2)20(25(39)40)32-23(38)18(24(32)42-27)29-21(36)17(13-7-4-3-5-8-13)30-26(41)31(11-6-12-33)22(37)14-9-10-15(34)19(35)16(14)28/h3-5,7-10,17-18,20,24,33-35H,6,11-12H2,1-2H3,(H,29,36)(H,30,41)(H,39,40)/t17-,18-,20+,24-/m1/s1
• InChIKey: DCHBEKSRSJYIQF-NYCQLSGJSA-N

Properties

• Density: 1.618g/cm³ (Cal.)