N-Formylmethionyl-Leucyl-Phenylalanyl tert-Butyl Ester
[CAS# 99880-61-2]

Identification

• Name: N-Formylmethionyl-Leucyl-Phenylalanyl tert-Butyl Ester
• Synonyms: Tert-Butyl (2S)-2-[[2-[[(2S)-2-Formamido-4-Methylsulfanyl-Butanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[2-[[(2S)-2-Formamido-4-(Methylthio)-1-Oxobutyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid Tert-Butyl Ester; (2S)
• Molecular Formula: C₂₅H₃₉N₃O₅S
• Molecular Weight: 493.66
• CAS Registry Number: 99880-61-2
• SMILES: [C@H](CCSC)(C(NC(C(N[C@H](C(OC(C)(C)C)=O)CC1=CC=CC=C1)=O)C(CC)C)=O)NC=O
• InChI: 1S/C25H39N3O5S/c1-7-17(2)21(28-22(30)19(26-16-29)13-14-34-6)23(31)27-20(24(32)33-25(3,4)5)15-18-11-9-8-10-12-18/h8-12,16-17,19-21H,7,13-15H2,1-6H3,(H,26,29)(H,27,31)(H,28,30)/t17?,19-,20-,21?/m0/s1
• InChIKey: LGCLOMQDQUYJHH-WWFYLNGCSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 742.047°C at 760 mmHg (Cal.)
• Flash point: 402.575°C (Cal.)