4-[[1-(3-methylbutylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoic acid

Systemtic Name: 4-[[1-(3-methylbutylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoic acid Openeye Name: 3-hydroxy-4-[[1-(isopentylcarbamoyl)-3-phenyl-propyl]amino]-4-oxo-2-sulfanyl-butanoic acid CAS Name: 3-hydroxy-2-mercapto-4-[[1-(3-methylbutylamino)-1-oxo-4-phenylbutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-hydroxy-4-[[1-(3-methylbutylamino)-1-oxo-4-phenylbutan-2-yl]amino]-4-oxo-2-sulfanylbutanoic acid Traditional Name: 3-hydroxy-4-[[1-(isoamylcarbamoyl)-3-phenyl-propyl]amino]-4-keto-2-mercapto-butyric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CCC1=CC=CC=C1)NC(=O)C(C(C(=O)O)S)O

Isomeric SMILES

CC(C)CCNC(=O)C(CCC1=CC=CC=C1)NC(=O)C(C(C(=O)O)S)O

InChI

InChI=1S/C19H28N2O5S/c1-12(2)10-11-20-17(23)14(9-8-13-6-4-3-5-7-13)21-18(24)15(22)16(27)19(25)26/h3-7,12,14-16,22,27H,8-11H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)