4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-Chloro-3-Oxo-1-Phenylbutan-2-Yl)Pyrrolidine-2-Carbonyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 156616-24-9]

Identification

• Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-Chloro-3-Oxo-1-Phenylbutan-2-Yl)Pyrrolidine-2-Carbonyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[[(1S)-2-[[(1S)-2-[[(2S)-1-[3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]Pyrrolidine-2-Carbonyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S)-2-[[(1S)-2-[[[(2S)-1-[3-Chloro-2-Oxo-1-(Phenylmethyl)Propyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S)-2-[[(1S)-2-[[(2S)-1-[1-(Benzyl)-3-Chloro-2-Keto-Propyl]Pyrrolidine-2-Carbonyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₂₅H₃₃ClN₄O₇
• Molecular Weight: 537.01
• CAS Registry Number: 156616-24-9
• SMILES: [C@H]1(C(=O)NC([C@@H](NC([C@@H](NC(CCC(=O)O)=O)C)=O)C)=O)N(CCC1)C(C(CCl)=O)CC2=CC=CC=C2
• InChI: 1S/C25H33ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)24(36)29-25(37)18-9-6-12-30(18)19(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-19H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,33,34)(H,29,36,37)/t15-,16-,18-,19?/m0/s1
• InChIKey: LLZHCFIJOPMUTQ-KUORQNNRSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 831.406°C at 760 mmHg (Cal.)
• Flash point: 456.618°C (Cal.)