2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoyl]oxyamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoyl]oxyamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(2-amino-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoyl]oxyamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2-amino-3-mercapto-1-oxopropoxy)amino]-1-oxo-3-phenylpropoxy]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-amino-3-sulfanylpropanoyl)oxyamino]-3-phenylpropanoyl]oxyamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(2-amino-3-mercapto-propanoyl)oxyamino]-3-phenyl-propanoyl]oxyamino]-3-phenyl-propionic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NOC(=O)C(CC2=CC=CC=C2)NOC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NOC(=O)C(CC2=CC=CC=C2)NOC(=O)C(CS)N

InChI

InChI=1S/C21H25N3O6S/c22-16(13-31)20(27)29-24-18(12-15-9-5-2-6-10-15)21(28)30-23-17(19(25)26)11-14-7-3-1-4-8-14/h1-10,16-18,23-24,31H,11-13,22H2,(H,25,26)