N-[1-carbamoyl-3-(methylsulfanyl)propyl]-4-methyl-2-(2-{3-methyl-2-[2-(methylamino)-3-phenylpropanamido]butanamido}acetamido)pentanamide

CAS: 86933-74-6

Formula: C28H46N6O5S

SMILES: CNC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(N)=O

IUPAC: N-[1-carbamoyl-3-(methylsulfanyl)propyl]-4-methyl-2-(2-{3-methyl-2-[2-(methylamino)-3-phenylpropanamido]butanamido}acetamido)pentanamide

InChI: InChI=1/C28H46N6O5S/c1-17(2)14-22(27(38)33-20(25(29)36)12-13-40-6)32-23(35)16-31-28(39)24(18(3)4)34-26(37)21(30-5)15-19-10-8-7-9-11-19/h7-11,17-18,20-22,24,30H,12-16H2,1-6H3,(H2,29,36)(H,31,39)(H,32,35)(H,33,38)(H,34,37)

Composition: C (58.11%), H (8.01%), N (14.52%), O (13.82%), S (5.54%)

Molar Mass: 578.77

Atom Count: 86

Heavy Atom Count: 40