3-azanyl-4-[[1-[[3-(1H-imidazol-5-yl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-[[3-(1H-imidazol-5-yl)-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C18H28N6O7S MolecularWeight: 472.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C18H28N6O7S/c1-9(22-16(28)11(19)6-14(25)26)15(27)24-13(5-10-7-20-8-21-10)17(29)23-12(18(30)31)3-4-32-2/h7-9,11-13H,3-6,19H2,1-2H3,(H,20,21)(H,22,28)(H,23,29)(H,24,27)(H,25,26)(H,30,31)