2-azanyl-4-oxidanylidene-5-[(3-oxidanylidene-3-phenyl-propanethioyl)amino]-2-(phenylcarbonyl)-3-sulfanyl-pentanoic acid

Systemtic Name: 2-azanyl-4-oxidanylidene-5-[(3-oxidanylidene-3-phenyl-propanethioyl)amino]-2-(phenylcarbonyl)-3-sulfanyl-pentanoic acid Openeye Name: 2-amino-2-benzoyl-4-oxo-5-[(3-oxo-3-phenyl-propanethioyl)amino]-3-sulfanyl-pentanoic acid CAS Name: 2-amino-2-benzoyl-3-mercapto-4-oxo-5-[(3-oxo-3-phenyl-1-sulfanylidenepropyl)amino]pentanoic acid IUPAC Name: 2-amino-2-benzoyl-4-oxo-5-[(3-oxo-3-phenylpropanethioyl)amino]-3-sulfanylpentanoic acid Traditional Name: 2-amino-2-benzoyl-4-keto-5-[(3-keto-3-phenyl-propanethioyl)amino]-3-mercapto-valeric acid Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(=S)NCC(=O)C(C(C(=O)C2=CC=CC=C2)(C(=O)O)N)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(=S)NCC(=O)C(C(C(=O)C2=CC=CC=C2)(C(=O)O)N)S

InChI

InChI=1S/C21H20N2O5S2/c22-21(20(27)28,18(26)14-9-5-2-6-10-14)19(30)16(25)12-23-17(29)11-15(24)13-7-3-1-4-8-13/h1-10,19,30H,11-12,22H2,(H,23,29)(H,27,28)