6-(2-(3-(2,5-Dichloro-3,4-Dihydroxybenzoyl)-3-(3-Hydroxypropyl)-1-Ureido)-2-Phenylacetamido)Penicillanic Acid
[CAS# 92773-66-5]

Identification

• Name: 6-(2-(3-(2,5-Dichloro-3,4-Dihydroxybenzoyl)-3-(3-Hydroxypropyl)-1-Ureido)-2-Phenylacetamido)Penicillanic Acid
• Synonyms: (2S,5R,6R)-6-[[(2R)-2-[[(2,5-Dichloro-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-[[[[(2,5-Dichloro-3,4-Dihydroxyphenyl)-Oxome
• Molecular Formula: C₂₇H₂₈Cl₂N₄O₉S
• Molecular Weight: 655.51
• CAS Registry Number: 92773-66-5
• 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)Cl)O)CCCO)C4=CC=CC=C4)C(=O)O)(C)C
• InChI: 1S/C27H28Cl2N4O9S/c1-27(2)20(25(40)41)33-23(39)17(24(33)43-27)30-21(37)16(12-7-4-3-5-8-12)31-26(42)32(9-6-10-34)22(38)13-11-14(28)18(35)19(36)15(13)29/h3-5,7-8,11,16-17,20,24,34-36H,6,9-10H2,1-2H3,(H,30,37)(H,31,42)(H,40,41)/t16-,17-,20+,24-/m1/s1
• InChIKey: DBYDVZNBMQOGFU-XBFDIVRLSA-N

Properties

• Density: 1.661g/cm³ (Cal.)