(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]Amino]-N-[(Z)-1-(4-Hydroxyphenyl)-3-Oxo-3-[[2-Oxo-2-(2-Oxoethylamino)Ethyl]Amino]Prop-1-En-2-Yl]-3-Methylbutanamide
[CAS# 137476-73-4]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]Amino]-N-[(Z)-1-(4-Hydroxyphenyl)-3-Oxo-3-[[2-Oxo-2-(2-Oxoethylamino)Ethyl]Amino]Prop-1-En-2-Yl]-3-Methylbutanamide
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]Propanoyl]Amino]-N-[(Z)-2-(4-Hydroxyphenyl)-1-[[2-Oxo-2-(2-Oxoethylamino)Ethyl]Carbamoyl]Vinyl]-3-Methyl-Butanamide; (2S)-2-[[(2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-N-[(Z)-2-(4-Hydroxyphenyl)-1-[Oxo-[[2-Oxo-2-(2-Oxoethylamino)Ethyl]Amino]Methyl]Vinyl]-3-Methylbutanamide; (2S)-2-[[(2S)-2-(Alanylamino)Propanoyl]Amino]-N-[(Z)-2-(4-Hydroxyphenyl)-1-[[2-Keto-2-(2-Ketoethylamino)Ethyl]Carbamoyl]Vinyl]-3-Methyl-Butyramide
• Molecular Formula: C₂₄H₃₄N₆O₇
• Molecular Weight: 518.57
• CAS Registry Number: 137476-73-4
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)(C(=O)NC(/C(=O)NCC(=O)NCC=O)=C\C1=CC=C(O)C=C1)C(C)C
• InChI: 1S/C24H34N6O7/c1-13(2)20(30-22(35)15(4)28-21(34)14(3)25)24(37)29-18(11-16-5-7-17(32)8-6-16)23(36)27-12-19(33)26-9-10-31/h5-8,10-11,13-15,20,32H,9,12,25H2,1-4H3,(H,26,33)(H,27,36)(H,28,34)(H,29,37)(H,30,35)/b18-11-/t14-,15-,20-/m0/s1
• InChIKey: PLNSLJPHSLOJGU-AHKPKIPKSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 979.16°C at 760 mmHg (Cal.)
• Flash point: 545.976°C (Cal.)