N(alpha)-((Acetylthio)Acetyl)-Phenylalanyl-Prolyl-Arginine Chloromethyl Ketone
[CAS# 115290-74-9]

Identification

• Name: N(alpha)-((Acetylthio)Acetyl)-Phenylalanyl-Prolyl-Arginine Chloromethyl Ketone
• Synonyms: S-[2-[[(1R)-2-[[(2S)-1-[(1S)-1-(2-Chloroacetyl)-4-Guanidino-Butyl]Pyrrolidine-2-Carbonyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl] Ethanethioate; Ethanethioic Acid S-[2-[[(1R)-2-[[[(2S)-1-[(1S)-1-(2-Chloro-1-Oxoethyl)-4-Guanidinobutyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl] Ester; Ethanethioic Acid S-[2-[[(1R)-1-(Benzyl)-2-[[(2S)-1-[(1S)-1-(2-Chloroacetyl)-4-Guanidino-Butyl]Pyrrolidine-2-Carbonyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₅H₃₅ClN₆O₅S
• Molecular Weight: 567.10
• CAS Registry Number: 115290-74-9
• SMILES: [C@@H]1(N(CCC1)[C@@H](CCCN=C(N)N)C(=O)CCl)C(=O)NC(=O)[C@H](NC(=O)CSC(=O)C)CC2=CC=CC=C2
• InChI: 1S/C25H35ClN6O5S/c1-16(33)38-15-22(35)30-18(13-17-7-3-2-4-8-17)23(36)31-24(37)20-10-6-12-32(20)19(21(34)14-26)9-5-11-29-25(27)28/h2-4,7-8,18-20H,5-6,9-15H2,1H3,(H,30,35)(H4,27,28,29)(H,31,36,37)/t18-,19+,20+/m1/s1
• InChIKey: ZAYSEFJZQOECOL-AABGKKOBSA-N