tert-Butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(brz)tyrosyl-proline
[CAS# 138865-77-7]

Identification

• Name: tert-Butyloxycarbonyl-valyl-(benzyl)seryl-glutaminyl-asparaginyl-(brz)tyrosyl-proline
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-(Isobutoxycarbonylamino)-3-Methyl-Butanoyl]Amino]-3-(Phenylmethoxy)Propanoyl]Amino]-5-Oxo-Pentanoyl]Amino]-4-Oxo-Butanoyl]Amino]-3-[4-[(4-Bromophenyl)Methoxycarbonyloxy]Phenyl]Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-5-Amino-2-[[(2S)-2-[[(2S)-2-[(Isobutoxy-Oxomethyl)Amino]-3-Methyl-1-Oxobutyl]Amino]-1-Oxo-3-(Phenylmethoxy)Propyl]Amino]-1,5-Dioxopentyl]Amino]-1,4-Dioxobutyl]Amino]-3-[4-[(4-Bromophenyl)Methoxy-Oxomethoxy]Phenyl]-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-4-Amino-2-[[(2S)-5-Amino-2-[[(2S)-3-(Benzyloxy)-2-[[(2S)-2-(Isobutoxycarbonylamino)-3-Methyl-Butanoyl]Amino]Propanoyl]Amino]-5-Keto-Pentanoyl]Amino]-4-Keto-Butanoyl]Amino]-3-[4-(4-Bromobenzyl)Oxycarbonyloxyphenyl]Propanoyl]Proline
• Molecular Formula: C₅₁H₆₅BrN₈O₁₅
• Molecular Weight: 1110.02
• CAS Registry Number: 138865-77-7
• SMILES: [C@H]1(CCCN1C([C@@H](NC([C@@H](NC([C@@H](NC([C@H](COCC2=CC=CC=C2)NC([C@H](C(C)C)NC(OCC(C)C)=O)=O)=O)CCC(N)=O)=O)CC(N)=O)=O)CC3=CC=C(C=C3)OC(OCC4=CC=C(C=C4)Br)=O)=O)C(O)=O
• InChI: 1S/C51H65BrN8O15/c1-29(2)25-73-50(70)59-43(30(3)4)47(66)58-39(28-72-26-32-9-6-5-7-10-32)46(65)55-36(20-21-41(53)61)44(63)56-37(24-42(54)62)45(64)57-38(48(67)60-22-8-11-40(60)49(68)69)23-31-14-18-35(19-15-31)75-51(71)74-27-33-12-16-34(52)17-13-33/h5-7,9-10,12-19,29-30,36-40,43H,8,11,20-28H2,1-4H3,(H2,53,61)(H2,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,59,70)(H,68,69)/t36-,37-,38-,39-,40-,43-/m0/s1
• InChIKey: NOSLNGMGLUZOKG-CNKJTFKXSA-N