(2S)-2-[(2-Aminoacetyl)Amino]-N-[2-[[(2S)-1-[(2S)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-3-Methyl-1-Oxobutan-2-Yl]Amino]-2-Oxoethyl]-3-Methylbutanamide
[CAS# 76911-61-0]

Identification

• Name: (2S)-2-[(2-Aminoacetyl)Amino]-N-[2-[[(2S)-1-[(2S)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-3-Methyl-1-Oxobutan-2-Yl]Amino]-2-Oxoethyl]-3-Methylbutanamide
• Synonyms: (2S)-2-[(2-Aminoacetyl)Amino]-N-[2-[[(1S)-1-[(2S)-2-Formyl2,5-Dihydropyrrole-1-Carbonyl]-2-Methyl-Propyl]Amino]-2-Oxo-Ethyl]-3-Methyl-Butanamide; (2S)-2-[(2-Amino-1-Oxoethyl)Amino]-N-[2-[[(1S)-1-[[(2S)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxoethyl]-3-Methylbutanamide; (2S)-N-[2-[[(1S)-1-[(2S)-2-Formyl3-Pyrroline-1-Carbonyl]-2-Methyl-Propyl]Amino]-2-Keto-Ethyl]-2-(Glycylamino)-3-Methyl-Butyramide
• Molecular Formula: C₁₉H₃₁N₅O₅
• Molecular Weight: 409.48
• CAS Registry Number: 76911-61-0
• SMILES: [C@H]1(C=O)N(CC=C1)C([C@@H](NC(CNC([C@@H](NC(CN)=O)C(C)C)=O)=O)C(C)C)=O
• InChI: 1S/C19H31N5O5/c1-11(2)16(22-14(26)8-20)18(28)21-9-15(27)23-17(12(3)4)19(29)24-7-5-6-13(24)10-25/h5-6,10-13,16-17H,7-9,20H2,1-4H3,(H,21,28)(H,22,26)(H,23,27)/t13-,16-,17-/m0/s1
• InChIKey: MIHGCDPJJGWQHT-JQFCIGGWSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 764.383°C at 760 mmHg (Cal.)
• Flash point: 416.084°C (Cal.)