4-ethanoylsulfanyl-2-[(3-methylbutylcarbamoylamino)-phenyl-methyl]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[(3-methylbutylcarbamoylamino)-phenyl-methyl]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(isopentylcarbamoylamino)-phenyl-methyl]butanoic acid CAS Name: 4-(acetylthio)-2-[[[(3-methylbutylamino)-oxomethyl]amino]-phenylmethyl]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(3-methylbutylcarbamoylamino)-phenylmethyl]butanoic acid Traditional Name: 4-(acetylthio)-2-[(isoamylcarbamoylamino)-phenyl-methyl]butyric acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(C1=CC=CC=C1)C(CCSC(=O)C)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)NC(C1=CC=CC=C1)C(CCSC(=O)C)C(=O)O

InChI

InChI=1S/C19H28N2O4S/c1-13(2)9-11-20-19(25)21-17(15-7-5-4-6-8-15)16(18(23)24)10-12-26-14(3)22/h4-8,13,16-17H,9-12H2,1-3H3,(H,23,24)(H2,20,21,25)