2-(2-azanylethyl)-3-oxidanylidene-4-[2-[2-(phenylcarbonylsulfanyl)propanoylamino]ethanoylamino]butanoic acid

Systemtic Name: 2-(2-azanylethyl)-3-oxidanylidene-4-[2-[2-(phenylcarbonylsulfanyl)propanoylamino]ethanoylamino]butanoic acid Openeye Name: 2-(2-aminoethyl)-4-[[2-(2-benzoylsulfanylpropanoylamino)acetyl]amino]-3-oxo-butanoic acid CAS Name: 2-(2-aminoethyl)-4-[[2-[[2-(benzoylthio)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-oxobutanoic acid IUPAC Name: 2-(2-aminoethyl)-4-[[2-(2-benzoylsulfanylpropanoylamino)acetyl]amino]-3-oxobutanoic acid Traditional Name: 2-(2-aminoethyl)-4-[[2-[2-(benzoylthio)propanoylamino]acetyl]amino]-3-keto-butyric acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NCC(=O)C(CCN)C(=O)O)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NCC(=O)NCC(=O)C(CCN)C(=O)O)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H23N3O6S/c1-11(28-18(27)12-5-3-2-4-6-12)16(24)21-10-15(23)20-9-14(22)13(7-8-19)17(25)26/h2-6,11,13H,7-10,19H2,1H3,(H,20,23)(H,21,24)(H,25,26)