4-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-amino-3-phenyl-propanoyl)amino]-5-[[2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-amino-3-phenylpropanoyl)amino]-5-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-[[1-carboxy-3-(methylthio)propyl]amino]-2-keto-1-methyl-ethyl]amino]-5-keto-4-(phenylalanylamino)valeric acid Formula: C22H32N4O7S MolecularWeight: 496.57708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O7S/c1-13(19(29)26-17(22(32)33)10-11-34-2)24-21(31)16(8-9-18(27)28)25-20(30)15(23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,23H2,1-2H3,(H,24,31)(H,25,30)(H,26,29)(H,27,28)(H,32,33)