Methyl L-tyrosyl-D-alanylglycyl-L-phenylalanyl-L-leucyl-4-[bis(2-chloroethyl)amino]-L-phenylalaninate
[CAS# 88457-22-1]

Identification

• Name: Methyl L-tyrosyl-D-alanylglycyl-L-phenylalanyl-L-leucyl-4-[bis(2-chloroethyl)amino]-L-phenylalaninate
• Synonyms: 2-Ala-melphalan methyl ester-leu-enkephalin; 2-Alanyl-leucine enkephalin melphalan ester
• Molecular Formula: C₄₃H₅₇Cl₂N₇O₈
• Molecular Weight: 870.86
• CAS Registry Number: 88457-22-1
• SMILES: ClCCN(c1ccc(cc1)C[C@@H](C(=O)OC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C)Cc3ccccc3)CC(C)C)CCCl
• InChI: 1S/C43H57Cl2N7O8/c1-27(2)22-35(41(57)51-37(43(59)60-4)25-31-10-14-32(15-11-31)52(20-18-44)21-19-45)50-42(58)36(24-29-8-6-5-7-9-29)49-38(54)26-47-39(55)28(3)48-40(56)34(46)23-30-12-16-33(53)17-13-30/h5-17,27-28,34-37,53H,18-26,46H2,1-4H3,(H,47,55)(H,48,56)(H,49,54)(H,50,58)(H,51,57)/t28-,34+,35+,36+,37+/m1/s1
• InChIKey: FCWWXLDADWPWDG-HSTIBASBSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1148.49°C at 760 mmHg (Cal.)
• Flash point: 648.383°C (Cal.)