3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-amino-3-phenyl-propanoyl)amino]-4-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-3-phenylpropanoyl)amino]-4-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-2-keto-1-methyl-ethyl]amino]-4-keto-3-(phenylalanylamino)butyric acid Formula: C21H30N4O7S MolecularWeight: 482.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C21H30N4O7S/c1-12(18(28)24-15(21(31)32)8-9-33-2)23-20(30)16(11-17(26)27)25-19(29)14(22)10-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11,22H2,1-2H3,(H,23,30)(H,24,28)(H,25,29)(H,26,27)(H,31,32)