Catalog Number:
AG001RG0
Chemical Name:
Mc-val-cit-pab-oh
CAS Number:
159857-80-4
Molecular Formula:
C28H40N6O7
Molecular Weight:
572.6532
MDL Number:
MFCD26142966
IUPAC Name:
N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
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
InChI Key:
AMKBTTRWLGVRER-OFVILXPXSA-N
SMILES:
OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)CCCNC(=O)N
