(2S)-2-Amino-3-[[2-(2,5-Dioxopyrrol-1-Yl)Acetyl]Amino]-N-[2-[[(2S)-1-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-2-Oxoethyl]Propanamide
[CAS# 77087-68-4]

Identification

• Name: (2S)-2-Amino-3-[[2-(2,5-Dioxopyrrol-1-Yl)Acetyl]Amino]-N-[2-[[(2S)-1-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-2-Oxoethyl]Propanamide
• Synonyms: (2S)-2-Amino-3-[[2-(2,5-Dioxopyrrol-1-Yl)Acetyl]Amino]-N-[2-[[(1S)-2-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Propanamide; (2S)-2-Amino-3-[[2-(2,5-Dioxo-1-Pyrrolyl)-1-Oxoethyl]Amino]-N-[2-[[(1S)-2-[(2R)-2-Formyl-2,5-Dihydropyrrol-1-Yl]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Propanamide; (2S)-2-Amino-N-[2-[[(1S)-1-(Benzyl)-2-[(2R)-2-Formyl-3-Pyrrolin-1-Yl]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-3-[(2-Maleimidoacetyl)Amino]Propionamide
• Molecular Formula: C₂₅H₂₈N₆O₇
• Molecular Weight: 524.53
• CAS Registry Number: 77087-68-4
• SMILES: [C@@H]1(C=O)N(CC=C1)C([C@@H](NC(CNC([C@@H](N)CNC(=O)CN2C(C=CC2=O)=O)=O)=O)CC3=CC=CC=C3)=O
• InChI: 1S/C25H28N6O7/c26-18(12-27-21(34)14-31-22(35)8-9-23(31)36)24(37)28-13-20(33)29-19(11-16-5-2-1-3-6-16)25(38)30-10-4-7-17(30)15-32/h1-9,15,17-19H,10-14,26H2,(H,27,34)(H,28,37)(H,29,33)/t17-,18+,19+/m1/s1
• InChIKey: NKWRGZBPAUARKX-QYZOEREBSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 968.791°C at 760 mmHg (Cal.)
• Flash point: 539.706°C (Cal.)