(2S)-2-[[(2S)-2-[[2-(2-Aminoacetyl)Iminoacetyl]Amino]-3-Phenylpropanoyl]Amino]-N-[(2S)-1-(4-Hydroxyphenyl)-3-Oxopropan-2-Yl]-4-Methylpentanamide
[CAS# 75975-40-5]

Identification

• Name: (2S)-2-[[(2S)-2-[[2-(2-Aminoacetyl)Iminoacetyl]Amino]-3-Phenylpropanoyl]Amino]-N-[(2S)-1-(4-Hydroxyphenyl)-3-Oxopropan-2-Yl]-4-Methylpentanamide
• Synonyms: (2S)-2-[[(2S)-2-[[2-(2-Aminoacetyl)Iminoacetyl]Amino]-3-Phenyl-Propanoyl]Amino]-N-[(1S)-1-Formyl-2-(4-Hydroxyphenyl)Ethyl]-4-Methyl-Pentanamide; (2S)-2-[[(2S)-2-[[2-(2-Amino-1-Oxoethyl)Imino-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-N-[(1S)-1-Formyl-2-(4-Hydroxyphenyl)Ethyl]-4-Methylpentanamide; (2S)-N-[(1S)-1-Formyl-2-(4-Hydroxyphenyl)Ethyl]-2-[[(2S)-2-[(2-Glycyliminoacetyl)Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Valeramide
• Molecular Formula: C₂₈H₃₅N₅O₆
• Molecular Weight: 537.61
• CAS Registry Number: 75975-40-5
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)C=NC(=O)CN)CC1=CC=CC=C1)(C(=O)N[C@@H](CC2=CC=C(O)C=C2)C=O)CC(C)C
• InChI: 1S/C28H35N5O6/c1-18(2)12-23(27(38)31-21(17-34)13-20-8-10-22(35)11-9-20)33-28(39)24(14-19-6-4-3-5-7-19)32-26(37)16-30-25(36)15-29/h3-11,16-18,21,23-24,35H,12-15,29H2,1-2H3,(H,31,38)(H,32,37)(H,33,39)/t21-,23-,24-/m0/s1
• InChIKey: BEVVTQSRFIWLFS-XWGVYQGASA-N

Properties

• Density: 1.27g/cm³ (Cal.)