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]-3-methyl-1-oxidanylidene-butan-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]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]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]-3-methyl-1-oxobutan-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]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C20H32N6O7S MolecularWeight: 500.56908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N6O7S/c1-10(2)16(26-17(29)12(21)7-15(27)28)19(31)25-14(6-11-8-22-9-23-11)18(30)24-13(20(32)33)4-5-34-3/h8-10,12-14,16H,4-7,21H2,1-3H3,(H,22,23)(H,24,30)(H,25,31)(H,26,29)(H,27,28)(H,32,33)