5-[[1-[[2-(4-acetamidophenoxy)-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-[[2-(4-acetamidophenoxy)-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-[[2-(4-acetamidophenoxy)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: 5-[[1-[[2-(4-acetamidophenoxy)-2-oxoethyl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid IUPAC Name: 5-[[1-[[2-(4-acetamidophenoxy)-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-amino-5-oxopentanoic acid Traditional Name: 5-[[2-[[2-(4-acetamidophenoxy)-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-2-amino-5-keto-valeric acid Formula: C18H24N4O7S MolecularWeight: 440.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C18H24N4O7S/c1-10(23)21-11-2-4-12(5-3-11)29-16(25)8-20-17(26)14(9-30)22-15(24)7-6-13(19)18(27)28/h2-5,13-14,30H,6-9,19H2,1H3,(H,20,26)(H,21,23)(H,22,24)(H,27,28)