(2S)-1-(2-Aminoacetyl)-N-[(2R)-1-[[2-[[(2S)-3-Methyl-1-Oxobutan-2-Yl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-2,3-Dihydropyrrole-2-Carboxamide
[CAS# 110590-39-1]

Identification

• Name: (2S)-1-(2-Aminoacetyl)-N-[(2R)-1-[[2-[[(2S)-3-Methyl-1-Oxobutan-2-Yl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]-2,3-Dihydropyrrole-2-Carboxamide
• Synonyms: (2S)-1-(2-Aminoacetyl)-N-[(1R)-2-[[2-[[(1S)-1-Formyl-2-Methyl-Propyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2,3-Dihydropyrrole-2-Carboxamide; (2S)-1-(2-Amino-1-Oxoethyl)-N-[(1R)-2-[[2-[[(1S)-1-Formyl-2-Methylpropyl]Amino]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2,3-Dihydropyrrole-2-Carboxamide; (2S)-N-[(1R)-1-(Benzyl)-2-[[2-[[(1S)-1-Formyl-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-1-Glycyl-2-Pyrroline-2-Carboxamide
• Molecular Formula: C₂₃H₃₁N₅O₅
• Molecular Weight: 457.53
• CAS Registry Number: 110590-39-1
• SMILES: [C@H](C=O)(NC(CNC([C@H](NC([C@H]1N(C=CC1)C(CN)=O)=O)CC2=CC=CC=C2)=O)=O)C(C)C
• InChI: 1S/C23H31N5O5/c1-15(2)18(14-29)26-20(30)13-25-22(32)17(11-16-7-4-3-5-8-16)27-23(33)19-9-6-10-28(19)21(31)12-24/h3-8,10,14-15,17-19H,9,11-13,24H2,1-2H3,(H,25,32)(H,26,30)(H,27,33)/t17-,18-,19+/m1/s1
• InChIKey: HVGBFYMYYAWNTQ-QRVBRYPASA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 848.988°C at 760 mmHg (Cal.)
• Flash point: 467.251°C (Cal.)