L-Tyrosyl-D-alanyl-L-phenylalanyl-L-a-glutamyl-L-isoleucyl-L-isoleucyl-Glycinamide
[CAS# 138166-93-5]

Identification

• Name: L-Tyrosyl-D-alanyl-L-phenylalanyl-L-a-glutamyl-L-isoleucyl-L-isoleucyl-Glycinamide
• Synonyms: (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-[[(1S,2S)-1-[[(1S,2S)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-5-[[(1S,2S)-1-[[[(1S,2S)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-2-Methylbutyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Amino]-5-[[(1S,2S)-1-[[(1S,2S)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Butyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₀H₅₈N₈O₁₀
• Molecular Weight: 810.95
• CAS Registry Number: 138166-93-5
• SMILES: [C@H](C(NCC(=O)N)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](N)CC1=CC=C(O)C=C1)=O)C)=O)CC2=CC=CC=C2)=O)CCC(=O)O)=O)[C@H](CC)C)=O)[C@H](CC)C
• InChI: 1S/C40H58N8O10/c1-6-22(3)33(39(57)43-21-31(42)50)48-40(58)34(23(4)7-2)47-37(55)29(17-18-32(51)52)45-38(56)30(20-25-11-9-8-10-12-25)46-35(53)24(5)44-36(54)28(41)19-26-13-15-27(49)16-14-26/h8-16,22-24,28-30,33-34,49H,6-7,17-21,41H2,1-5H3,(H2,42,50)(H,43,57)(H,44,54)(H,45,56)(H,46,53)(H,47,55)(H,48,58)(H,51,52)/t22-,23-,24+,28-,29-,30-,33-,34-/m0/s1
• InChIKey: GNHBZJKRUQINTM-ZWALSDIESA-N