L-Tyrosyl-D-alanylglycyl-N-(2-hydroxyethyl)-Nalpha-methyl-L-phenylalaninamide monoacetate (salt)
[CAS# 100929-53-1]

Identification

• Name: L-Tyrosyl-D-alanylglycyl-N-(2-hydroxyethyl)-Nalpha-methyl-L-phenylalaninamide monoacetate (salt)
• Synonyms: Acetic Acid; (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-Methyl-Amino]-N-(2-Hydroxyethyl)-3-Phenyl-Propanamide; Acetic Acid; (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxoethyl]-Methylamino]-N-(2-Hydroxyethyl)-3-Phenylpropanamide; Acetic Acid; (2S)-2-[[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-Methyl-Amino]-N-(2-Hydroxyethyl)-3-Phenyl-Propionamide
• Molecular Formula: C₂₈H₃₉N₅O₈
• Molecular Weight: 573.64
• CAS Registry Number: 100929-53-1
• SMILES: [C@@H](N(C(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)C)(C(=O)NCCO)CC2=CC=CC=C2.CC(=O)O
• InChI: 1S/C26H35N5O6.C2H4O2/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18;1-2(3)4/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36);1H3,(H,3,4)/t17-,21+,22+;/m1./s1
• InChIKey: XZZYKCKUDLGXJA-NJUGUJQKSA-N
• Protein Sequence: H-Tyr-D-Ala-Gly-N-Me-Phe-glycinol