Ambamustine
[CAS# 85754-59-2]

Identification

• Name: Ambamustine
• Synonyms: N-(3-(M-(Bis(2-Chloroethyl)Amino)Phenyl)-N-(3-(P-Fluorophenyl)-L-Alanyl)-L-Alanyl)-L-Methionine, Ethyl Ester; Ambamustine [Inn]; Unii-Ib1h345f24
• Molecular Formula: C₂₉H₃₉Cl₂FN₄O₄S
• Molecular Weight: 629.61
• CAS Registry Number: 85754-59-2
• SMILES: CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl
• InChI: 1S/C29H39Cl2FN4O4S/c1-3-40-29(39)25(11-16-41-2)34-28(38)26(35-27(37)24(33)18-20-7-9-22(32)10-8-20)19-21-5-4-6-23(17-21)36(14-12-30)15-13-31/h4-10,17,24-26H,3,11-16,18-19,33H2,1-2H3,(H,34,38)(H,3