4-[[2-[[2-[[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid

Systemtic Name: 4-[[2-[[2-[[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-cyclohexyl-3-oxidanyl-pentanoic acid Openeye Name: 5-cyclohexyl-4-[[2-[[2-[(1,1-dioxo-2,3-dihydrobenzothiophene-2-carbonyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-pentanoic acid CAS Name: 5-cyclohexyl-4-[[2-[[2-[[(1,1-dioxo-2,3-dihydro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxypentanoic acid IUPAC Name: 5-cyclohexyl-4-[[2-[[2-[(1,1-dioxo-2,3-dihydro-1-benzothiophene-2-carbonyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypentanoic acid Traditional Name: 5-cyclohexyl-4-[[2-[[2-[(1,1-diketo-2,3-dihydrobenzothiophene-2-carbonyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-valeric acid Formula: C35H47N3O8S MolecularWeight: 669.82798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1CCCCC1)C(CC(=O)O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CC4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C35H47N3O8S/c1-22(2)17-27(33(42)36-26(29(39)21-32(40)41)18-23-11-5-3-6-12-23)37-34(43)28(19-24-13-7-4-8-14-24)38-35(44)31-20-25-15-9-10-16-30(25)47(31,45)46/h4,7-10,13-16,22-23,26-29,31,39H,3,5-6,11-12,17-21H2,1-2H3,(H,36,42)(H,37,43)(H,38,44)(H,40,41)