3-azanyl-4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanyl-benzoic acid

Systemtic Name: 3-azanyl-4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanyl-benzoic acid Openeye Name: 3-amino-4-[2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]sulfanyl-benzoic acid CAS Name: 3-amino-4-[[3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]thio]benzoic acid IUPAC Name: 3-amino-4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 3-amino-4-[[2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]thio]benzoic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)C(=O)O)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)C(=O)O)N)C(=O)OC

InChI

InChI=1S/C16H22N2O6S/c1-16(2,3)24-15(22)18-11(14(21)23-4)8-25-12-6-5-9(13(19)20)7-10(12)17/h5-7,11H,8,17H2,1-4H3,(H,18,22)(H,19,20)