2-[(2-azanyl-3,3-dimethyl-butanoyl)-(3-oxidanylidene-2-propan-2-yl-4-sulfanylidene-butanoyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-azanyl-3,3-dimethyl-butanoyl)-(3-oxidanylidene-2-propan-2-yl-4-sulfanylidene-butanoyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-amino-3,3-dimethyl-butanoyl)-(2-isopropyl-3-oxo-4-thioxo-butanoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-amino-3,3-dimethyl-1-oxobutyl)-(1,3-dioxo-2-propan-2-yl-4-sulfanylidenebutyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-amino-3,3-dimethylbutanoyl)-(3-oxo-2-propan-2-yl-4-sulfanylidenebutanoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-amino-3,3-dimethyl-butanoyl)-(2-isopropyl-3-keto-4-thioxo-butanoyl)amino]-3-phenyl-propionic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C=S)C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(C(C)(C)C)N

Isomeric SMILES

CC(C)C(C(=O)C=S)C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(C(C)(C)C)N

InChI

InChI=1S/C22H30N2O5S/c1-13(2)17(16(25)12-30)19(26)24(20(27)18(23)22(3,4)5)15(21(28)29)11-14-9-7-6-8-10-14/h6-10,12-13,15,17-18H,11,23H2,1-5H3,(H,28,29)