DPC-681

(2S)-N-[(2S,3R)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethylbutanamide

Also Known As: DPC-681|DPC 681|CS-5439|NCGC00522434-01|BRD-K37087535-001-01-1|L-Valinamide, N-[(3-fluorophenyl)methyl]glycyl-N1-[(1S,2R)-3-[[(3-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-|(2S)-N-[(2S,3R)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethylbutanamide|(2S)-N-[(1S,2R)-3-[(3-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethyl-butanamide|L-Valinamide,N-[(3-fluorophenyl)methyl]glycyl-N1-[(1S,2R)-3-[[(3-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl|N-[(3-Fluorophenyl)methyl]glycyl-N-{(2S,3R)-4-[3-amino-N-(2-methylpropyl)benzene-1-sulfonamido]-3-hydroxy-1-phenylbutan-2-yl}-3-methyl-L-valinamide

Molecular Formula	C35H48FN5O5S
Molecular Weight	669.336 g/mol
LogP	4.7
Topological Polar Surface Area	162.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	17
Exact Mass	669.336
Monoisotopic Mass	669.336
Heavy Atoms	47
Complexity	1080.0

Chemical Identifiers

CAS Number	367281-49-0
SMILES	CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)(C)C)NC(=O)CNCC2=CC(=CC=C2)F)O)S(=O)(=O)C3=CC=CC(=C3)N
InChIKey	PNIFFZXGBAYVMQ-RKKDRKJOSA-N