3-[3-methylbutylcarbamoyl-(propanoylamino)amino]-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3-[3-methylbutylcarbamoyl-(propanoylamino)amino]-4-phenylsulfanyl-butanoic acid Openeye Name: 3-[isopentylcarbamoyl-(propanoylamino)amino]-4-phenylsulfanyl-butanoic acid CAS Name: 3-[[(3-methylbutylamino)-oxomethyl]-(1-oxopropylamino)amino]-4-(phenylthio)butanoic acid IUPAC Name: 3-[3-methylbutylcarbamoyl-(propanoylamino)amino]-4-phenylsulfanylbutanoic acid Traditional Name: 3-[isoamylcarbamoyl(propionamido)amino]-4-(phenylthio)butyric acid Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NN(C(CC(=O)O)CSC1=CC=CC=C1)C(=O)NCCC(C)C

Isomeric SMILES

CCC(=O)NN(C(CC(=O)O)CSC1=CC=CC=C1)C(=O)NCCC(C)C

InChI

InChI=1S/C19H29N3O4S/c1-4-17(23)21-22(19(26)20-11-10-14(2)3)15(12-18(24)25)13-27-16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,20,26)(H,21,23)(H,24,25)