tert-butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(BrZ)tyrosine
[CAS# 138865-76-6]

Identification

• Name: tert-butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(BrZ)tyrosine
• Synonyms: 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]Propanoic Acid; 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]Propanoic Acid; 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]Propionic Acid
• Molecular Formula: C₄₆H₅₈BrN₇O₁₄
• Molecular Weight: 1012.91
• CAS Registry Number: 138865-76-6
• SMILES: [C@@H](C(NC(CC2=CC=C(OC(OCC1=CC=C(C=C1)Br)=O)C=C2)C(O)=O)=O)(CC(N)=O)NC([C@H](CCC(N)=O)NC([C@H](COCC3=CC=CC=C3)NC([C@H](C(C)C)NC(OCC(C)C)=O)=O)=O)=O
• InChI: 1S/C46H58BrN7O14/c1-26(2)22-66-45(63)54-39(27(3)4)43(60)53-36(25-65-23-29-8-6-5-7-9-29)42(59)50-33(18-19-37(48)55)40(57)51-34(21-38(49)56)41(58)52-35(44(61)62)20-28-12-16-32(17-13-28)68-46(64)67-24-30-10-14-31(47)15-11-30/h5-17,26-27,33-36,39H,18-25H2,1-4H3,(H2,48,55)(H2,49,56)(H,50,59)(H,51,57)(H,52,58)(H,53,60)(H,54,63)(H,61,62)/t33-,34-,35?,36-,39-/m0/s1
• InChIKey: ROQVHFVDSPTYHV-ZJOZRNNHSA-N