L-Alanyl-L-phenylalanyl-L-isoleucylglycyl-L-methionyl-Methioninamide hydrochloride
[CAS# 2807-80-9]

Identification

• Name: L-Alanyl-L-phenylalanyl-L-isoleucylglycyl-L-methionyl-Methioninamide hydrochloride
• Synonyms: (2S,3S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-N-[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methylsulfanyl-Propyl]Amino]-2-Oxo-Ethyl]-3-Methyl-Pentanamide Hydrochloride; (2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-N-[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-(Methylthio)Propyl]Amino]-2-Oxoethyl]-3-Methylpentanamide Hydrochloride; (2S,3S)-2-[[(2S)-2-(Alanylamino)-3-Phenyl-Propanoyl]Amino]-N-[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-(Methylthio)Propyl]Amino]-2-Keto-Ethyl]-3-Methyl-Valeramide Hydrochloride
• Molecular Formula: C₃₀H₅₀ClN₇O₆S₂
• Molecular Weight: 704.34
• CAS Registry Number: 2807-80-9
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC1=CC=CC=C1)(C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CCSC)[C@H](CC)C.[H+].[Cl-]
• InChI: 1S/C30H49N7O6S2.ClH/c1-6-18(2)25(37-29(42)23(36-27(40)19(3)31)16-20-10-8-7-9-11-20)30(43)33-17-24(38)34-22(13-15-45-5)28(41)35-21(26(32)39)12-14-44-4;/h7-11,18-19,21-23,25H,6,12-17,31H2,1-5H3,(H2,32,39)(H,33,43)(H,34,38)(H,35,41)(H,36,40)(H,37,42);1H/t18-,19-,21-,22-,23-,25-;/m0./s1
• InChIKey: HKUYNVQBZHRXPA-QTLXFHDZSA-N

Properties

• Boiling point: 1082.7°C at 760 mmHg (Cal.)
• Flash point: 608.6°C (Cal.)