Methyl (3S)-4-[(2S)-2-[[(2S)-4-Amino-1-[[(2S)-6-Amino-1-Oxohexan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]Carbamoyl]-2,3-Dihydropyrrol-1-Yl]-3-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-4-Oxobutanoate
[CAS# 134821-16-2]

Identification

• Name: Methyl (3S)-4-[(2S)-2-[[(2S)-4-Amino-1-[[(2S)-6-Amino-1-Oxohexan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]Carbamoyl]-2,3-Dihydropyrrol-1-Yl]-3-[(2-Methylpropan-2-Yl)Oxycarbonylamino]-4-Oxobutanoate
• Synonyms: Methyl (3S)-4-[(2S)-2-[[(1S)-3-Amino-1-[[(1S)-5-Amino-1-Formyl-Pentyl]Carbamoyl]-3-Oxo-Propyl]Carbamoyl]-2,3-Dihydropyrrol-1-Yl]-3-(Tert-Butoxycarbonylamino)-4-Oxo-Butanoate; (3S)-4-[(2S)-2-[[[(1S)-3-Amino-1-[[[(1S)-5-Amino-1-Formylpentyl]Amino]-Oxomethyl]-3-Oxopropyl]Amino]-Oxomethyl]-2,3-Dihydropyrrol-1-Yl]-3-[(Tert-Butoxy-Oxomethyl)Amino]-4-Oxobutanoic Acid Methyl Ester; (3S)-4-[(2S)-2-[[(1S)-3-Amino-1-[[(1S)-5-Amino-1-Formyl-Pentyl]Carbamoyl]-3-Keto-Propyl]Carbamoyl]-2-Pyrrolin-1-Yl]-3-(Tert-Butoxycarbonylamino)-4-Keto-Butyric Acid Methyl Ester
• Molecular Formula: C₂₅H₄₀N₆O₉
• Molecular Weight: 568.63
• CAS Registry Number: 134821-16-2
• SMILES: [C@H](C=O)(NC([C@@H](NC([C@H]1N(C=CC1)C([C@@H](NC(=O)OC(C)(C)C)CC(=O)OC)=O)=O)CC(=O)N)=O)CCCCN
• InChI: 1S/C25H40N6O9/c1-25(2,3)40-24(38)30-17(13-20(34)39-4)23(37)31-11-7-9-18(31)22(36)29-16(12-19(27)33)21(35)28-15(14-32)8-5-6-10-26/h7,11,14-18H,5-6,8-10,12-13,26H2,1-4H3,(H2,27,33)(H,28,35)(H,29,36)(H,30,38)/t15-,16-,17-,18-/m0/s1
• InChIKey: AVKMUWOZHZOMPQ-XSLAGTTESA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 924.568°C at 760 mmHg (Cal.)
• Flash point: 512.96°C (Cal.)