Ethyl 2-[[2-[[2-[[2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]Acetyl]Amino]-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]Pentanoate
[CAS# 32976-86-6]

Identification

• Name: Ethyl 2-[[2-[[2-[[2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]Acetyl]Amino]-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]Pentanoate
• Synonyms: 2-[[2-[[2-[[2-Amino-3-(4-Fluorophenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxopropyl]Amino]Pentanoic Acid Ethyl Ester; 2-[[2-[[2-[[2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]Acetyl]Amino]-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]Valeric Acid Ethyl Ester; Ethyl 2-[[2-[2-[[2-Amino-3-(4-Fluorophenyl)Propanoyl]Amino]Ethanoylamino]-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]Pentanoate
• Molecular Formula: C₃₁H₄₂Cl₂FN₅O₅
• Molecular Weight: 654.61
• CAS Registry Number: 32976-86-6
• EINECS: 251-317-8
• SMILES: C2=C(CC(C(NCC(NC(C(NC(C(=O)OCC)CCC)=O)CC1=CC=CC(=C1)N(CCCl)CCCl)=O)=O)N)C=CC(=C2)F
• InChI: 1S/C31H42Cl2FN5O5/c1-3-6-26(31(43)44-4-2)38-30(42)27(19-22-7-5-8-24(17-22)39(15-13-32)16-14-33)37-28(40)20-36-29(41)25(35)18-21-9-11-23(34)12-10-21/h5,7-12,17,25-27H,3-4,6,13-16,18-20,35H2,1-2H3,(H,36,41)(H,37,40)(H,38,42)
• InChIKey: MCGIGMPPRWHWAP-UHFFFAOYSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 889.33°C at 760 mmHg (Cal.)
• Flash point: 491.649°C (Cal.)