N-[4-[[3-(4-aminophenyl)sulfonyl-2-methyl-propyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-[2-[(3-fluorophenyl)methylamino]ethanoylamino]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[[3-(4-aminophenyl)sulfonyl-2-methyl-propyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-[2-[(3-fluorophenyl)methylamino]ethanoylamino]-3,3-dimethyl-butanamide Openeye Name: N-[3-[[3-(4-aminophenyl)sulfonyl-2-methyl-propyl]amino]-1-benzyl-2-hydroxy-propyl]-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethyl-butanamide CAS Name: N-[4-[[3-(4-aminophenyl)sulfonyl-2-methylpropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[2-[(3-fluorophenyl)methylamino]-1-oxoethyl]amino]-3,3-dimethylbutanamide IUPAC Name: N-[4-[[3-(4-aminophenyl)sulfonyl-2-methylpropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]-3,3-dimethylbutanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[(2-methyl-3-sulfanilyl-propyl)amino]propyl]-2-[[2-[(3-fluorobenzyl)amino]acetyl]amino]-3,3-dimethyl-butyramide Formula: C35H48FN5O5S MolecularWeight: 669.849523

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC(C(CC1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)CNCC2=CC(=CC=C2)F)O)CS(=O)(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC(CNCC(C(CC1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)CNCC2=CC(=CC=C2)F)O)CS(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C35H48FN5O5S/c1-24(23-47(45,46)29-15-13-28(37)14-16-29)19-38-21-31(42)30(18-25-9-6-5-7-10-25)40-34(44)33(35(2,3)4)41-32(43)22-39-20-26-11-8-12-27(36)17-26/h5-17,24,30-31,33,38-39,42H,18-23,37H2,1-4H3,(H,40,44)(H,41,43)