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

Systemtic Name: 3-azanyl-4-[[3-methyl-1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[1-benzyl-2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[1-benzyl-2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C21H30N4O7S MolecularWeight: 482.5505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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