Methyl (2S)-3-(3H-Imidazol-4-Yl)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-Phenylmethoxycarbonylamino-3-Sulfanylpropanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Propanoate Hydrochloride
[CAS# 162334-61-4]

Identification

• Name: Methyl (2S)-3-(3H-Imidazol-4-Yl)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-Phenylmethoxycarbonylamino-3-Sulfanylpropanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]Propanoate Hydrochloride
• Synonyms: Methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-Benzyloxycarbonylamino-3-Sulfanyl-Propanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoate Hydrochloride; (2S)-2-[[[(2S)-1-[(2S)-2-[[(2R)-2-Benzyloxycarbonylamino-3-Mercapto-1-Oxopropyl]Amino]-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoic Acid Methyl Ester Hydrochloride; (2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-Benzyloxycarbonylamino-3-Mercapto-Propanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-(3H-Imidazol-4-Yl)Propionic Acid Methyl Ester Hydrochloride
• Molecular Formula: C₂₆H₃₅ClN₆O₇S
• Molecular Weight: 611.11
• CAS Registry Number: 162334-61-4
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(OCC2=CC=CC=C2)=O)CS)C)C(=O)N[C@@H](CC3=CN=C[NH]3)C(OC)=O.[H+].[Cl-]
• InChI: 1S/C26H34N6O7S.ClH/c1-16(29-22(33)20(14-40)31-26(37)39-13-17-7-4-3-5-8-17)24(35)32-10-6-9-21(32)23(34)30-19(25(36)38-2)11-18-12-27-15-28-18;/h3-5,7-8,12,15-16,19-21,40H,6,9-11,13-14H2,1-2H3,(H,27,28)(H,29,33)(H,30,34)(H,31,37);1H/t16-,19-,20-,21-;/m0./s1
• InChIKey: PXIFXVLQXXWYFN-SPKBWDRKSA-N

Properties

• Boiling point: 932.3°C at 760 mmHg (Cal.)
• Flash point: 517.6°C (Cal.)