beta-Ala-Arg-Gly-Phe-Phe-Tyramide
[CAS# 57851-61-3]

Identification

• Name: beta-Ala-Arg-Gly-Phe-Phe-Tyramide
• Synonyms: (2S)-N-[2-[[(1S)-2-[[(1S)-2-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]-2-(3-Aminopropanoylamino)-5-Guanidino-Pentanamide; (2S)-N-[2-[[(1S)-2-[[(1S)-2-[[(1S)-2-Amino-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]-2-[(3-Amino-1-Oxopropyl)Amino]-5-Guanidinopentanamide; (2S)-N-[2-[[(1S)-2-[[(1S)-2-[[(1S)-2-Amino-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-2-(3-Aminopropanoylamino)-5-Guanidino-Valeramide
• Molecular Formula: C₃₈H₅₀N₁₀O₇
• Molecular Weight: 758.88
• CAS Registry Number: 57851-61-3
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CCN)CCCN=C(N)N)CC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N
• InChI: 1S/C38H50N10O7/c39-18-17-32(50)45-28(12-7-19-43-38(41)42)35(53)44-23-33(51)46-30(21-24-8-3-1-4-9-24)36(54)48-31(22-25-10-5-2-6-11-25)37(55)47-29(34(40)52)20-26-13-15-27(49)16-14-26/h1-6,8-11,13-16,28-31,49H,7,12,17-23,39H2,(H2,40,52)(H,44,53)(H,45,50)(H,46,51)(H,47,55)(H,48,54)(H4,41,42,43)/t28-,29-,30-,31-/m0/s1
• InChIKey: KNZDISZOYWRMMC-ORYMTKCHSA-N

Properties

• Density: 1.372g/cm³ (Cal.)