L-Tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-L-arginyl-L-Phenylalaninamide
[CAS# 78761-61-2]

Identification

• Name: L-Tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-L-arginyl-L-Phenylalaninamide
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-N-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Guanidino-Pentanamide; (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-1-Oxoethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-N-[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]-5-Guanidinopentanamide; (2S)-N-[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]Acetyl]Amino]-3-Phenyl-Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-5-Guanidino-Valeramide
• Molecular Formula: C₄₂H₅₇N₁₁O₈S
• Molecular Weight: 876.04
• CAS Registry Number: 78761-61-2
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)CC2=CC=CC=C2)CCSC)(CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
• InChI: 1S/C42H57N11O8S/c1-62-20-18-32(40(60)51-31(13-8-19-47-42(45)46)39(59)53-33(37(44)57)22-26-9-4-2-5-10-26)52-41(61)34(23-27-11-6-3-7-12-27)50-36(56)25-48-35(55)24-49-38(58)30(43)21-28-14-16-29(54)17-15-28/h2-7,9-12,14-17,30-34,54H,8,13,18-25,43H2,1H3,(H2,44,57)(H,48,55)(H,49,58)(H,50,56)(H,51,60)(H,52,61)(H,53,59)(H4,45,46,47)/t30-,31-,32-,33-,34-/m0/s1
• InChIKey: DIESNRFJUNWWPJ-LJADHVKFSA-N

Properties

• Density: 1.385g/cm³ (Cal.)