{4-[2-(2-amino-3-methylbutanamido)-5-(carbamoylamino)pentanamido]phenyl}methyl N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate

CAS: 1610769-13-5

Formula: C26H37N7O5S2

SMILES: CC(C)C(N)C(=O)NC(CCCNC(N)=O)C(=O)NC1=CC=C(COC(=O)NCCSSC2=CC=CC=N2)C=C1

IUPAC: {4-[2-(2-amino-3-methylbutanamido)-5-(carbamoylamino)pentanamido]phenyl}methyl N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate

InChI: InChI=1/C26H37N7O5S2/c1-17(2)22(27)24(35)33-20(6-5-13-30-25(28)36)23(34)32-19-10-8-18(9-11-19)16-38-26(37)31-14-15-39-40-21-7-3-4-12-29-21/h3-4,7-12,17,20,22H,5-6,13-16,27H2,1-2H3,(H,31,37)(H,32,34)(H,33,35)(H3,28,30,36)

Composition: C (52.77%), H (6.30%), N (16.57%), O (13.52%), S (10.84%)

Molar Mass: 591.75

Atom Count: 77

Heavy Atom Count: 40