Mc-Val-Cit-PABC-PNP

Mc-Val-Cit-PABC-PNP

CAS

159857-81-5

PubChem CID

57587849

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C=CC3=O

分子式

C35H43N7O11

分子量

737.767

精确分子量

737.3021

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

InChIKey

HYSPJPGXSALJRR-DHIFEGFHSA-N

LogP

2.8084

TPSA

258.47