5-chloro-3-{2-[2-(2-acetamido-3-phenylpropanamido)-4-methylpentanamido]-3-hydroxybutanamido}-4-oxopentanoic acid

CAS: 2376255-48-8

Formula: C26H37ClN4O8

SMILES: CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(C)=O)C(=O)NC(C(C)O)C(=O)NC(CC(O)=O)C(=O)CCl

IUPAC: 5-chloro-3-{2-[2-(2-acetamido-3-phenylpropanamido)-4-methylpentanamido]-3-hydroxybutanamido}-4-oxopentanoic acid

InChI: InChI=1/C26H37ClN4O8/c1-14(2)10-19(30-24(37)20(28-16(4)33)11-17-8-6-5-7-9-17)25(38)31-23(15(3)32)26(39)29-18(12-22(35)36)21(34)13-27/h5-9,14-15,18-20,23,32H,10-13H2,1-4H3,(H,28,33)(H,29,39)(H,30,37)(H,31,38)(H,35,36)

Composition: C (54.88%), H (6.55%), Cl (6.23%), N (9.85%), O (22.49%)

Molar Mass: 569.05

Atom Count: 76

Heavy Atom Count: 39