MC-Val-Cit-PAB

MC-Val-Cit-PAB

CAS

159857-80-4

PubChem CID

57544445

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCCCCN2C(=O)C=CC2=O

Molecular Formula

C28H40N6O7

Molecular Weight

572.663

Exact Mass

572.2958

InChI

InChI=1S/C28H40N6O7/c1-18(2)25(33-22(36)8-4-3-5-16-34-23(37)13-14-24(34)38)27(40)32-21(7-6-15-30-28(29)41)26(39)31-20-11-9-19(17-35)10-12-20/h9-14,18,21,25,35H,3-8,15-17H2,1-2H3,(H,31,39)(H,32,40)(H,33,36)(H3,29,30,41)/t21-,25-/m0/s1

InChIKey

AMKBTTRWLGVRER-OFVILXPXSA-N

LogP

0.6769

TPSA

200.03