Analyte Name

Mc-Val-Cit-PABC-PNP

CAS Number

159857-81-5

Molecular Formula

C35 H43 N7 O11

Molecular Weight

737.756

Accurate Mass

737.302

SMILES

CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(=O)N)C(=O)Nc2ccc(COC(=O)Oc3ccc(cc3)[N+](=O)[O-])cc2

InChI

InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1

IUPAC

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat