N-(3-Carboxy-1-Oxopropyl)-L-Leucyl-L-Leucyl-L-Valyl-N-(4-Methyl-2-Oxo-2H-1-Benzopyran-7-Yl)-L-Tyrosinamide
[CAS# 94367-21-2]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Tyrosine derivatives
• Name: N-(3-Carboxy-1-Oxopropyl)-L-Leucyl-L-Leucyl-L-Valyl-N-(4-Methyl-2-Oxo-2H-1-Benzopyran-7-Yl)-L-Tyrosinamide
• Synonyms: 4-[[1-[[1-[[(1S)-1-[[(1S)-1-[(4-Hydroxyphenyl)Methyl]-2-[(4-Methyl-2-Oxo-Chromen-7-Yl)Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-4-Oxo-Butanoic Acid; 4-[[1-[[[1-[[[(1S)-1-[[[(1S)-1-[(4-Hydroxyphenyl)Methyl]-2-[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-4-Oxobutanoic Acid; 4-[[1-[[1-[[(1S)-1-[[(1S)-1-(4-Hydroxybenzyl)-2-Keto-2-[(2-Keto-4-Methyl-Chromen-7-Yl)Amino]Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₀H₅₃N₅O₁₀
• Molecular Weight: 763.89
• CAS Registry Number: 94367-21-2
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)CCC(=O)O)CC(C)C)CC(C)C)C(C)C)(C(=O)NC1=CC=C2C(=C1)OC(=O)C=C2C)CC3=CC=C(O)C=C3
• InChI: 1S/C40H53N5O10/c1-21(2)16-29(42-33(47)14-15-34(48)49)38(52)43-30(17-22(3)4)39(53)45-36(23(5)6)40(54)44-31(19-25-8-11-27(46)12-9-25)37(51)41-26-10-13-28-24(7)18-35(50)55-32(28)20-26/h8-13,18,20-23,29-31,36,46H,14-17,19H2,1-7H3,(H,41,51)(H,42,47)(H,43,52)(H,44,54)(H,45,53)(H,48,49)/t29?,30?,31-,36-/m0/s1
• InChIKey: UVFAEQZFLBGVRM-BIMKKRMNSA-N
• Protein Sequence: Suc-Leu-Leu-Val-Tyr-AMC