N-Bromoacetyl-phenylalanyl-leucyl-glutamyl-glutamyl-leucyl-tyrosine
[CAS# 144304-34-7]

Identification

• Name: N-Bromoacetyl-phenylalanyl-leucyl-glutamyl-glutamyl-leucyl-tyrosine
• Synonyms: (4S)-4-[[(2S)-2-[[(2S)-2-[(2-Bromoacetyl)Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S)-4-Hydroxy-1-[[(1S)-1-[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-4-Oxo-Butyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[(2-Bromo-1-Oxoethyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-5-[[(1S)-4-Hydroxy-1-[[[(1S)-1-[[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-4-Oxobutyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[(2-Bromoacetyl)Amino]-3-Phenyl-Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-5-[[(1S)-4-Hydroxy-1-[[(1S)-1-[[(1S)-2-Hydroxy-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamoyl]-4-Keto-Butyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₄₂H₅₇BrN₆O₁₃
• Molecular Weight: 933.85
• CAS Registry Number: 144304-34-7
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CBr)CC1=CC=CC=C1)CC(C)C)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)O)CC(C)C)CCC(=O)O)CCC(=O)O
• InChI: 1S/C42H57BrN6O13/c1-23(2)18-30(48-41(60)32(44-34(51)22-43)20-25-8-6-5-7-9-25)39(58)46-28(14-16-35(52)53)37(56)45-29(15-17-36(54)55)38(57)47-31(19-24(3)4)40(59)49-33(42(61)62)21-26-10-12-27(50)13-11-26/h5-13,23-24,28-33,50H,14-22H2,1-4H3,(H,44,51)(H,45,56)(H,46,58)(H,47,57)(H,48,60)(H,49,59)(H,52,53)(H,54,55)(H,61,62)/t28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: ZRRFJIDSOUPTOP-FSJACQRISA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 1308.195°C at 760 mmHg (Cal.)
• Flash point: 744.969°C (Cal.)