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

Systemtic Name: 3-azanyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-benzoic acid Openeye Name: 3-amino-4-[2-(tert-butoxycarbonylamino)-3-hydroxy-3-oxo-propyl]sulfanyl-benzoic acid CAS Name: 3-amino-4-[[3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]thio]benzoic acid IUPAC Name: 3-amino-4-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 3-amino-4-[[2-(tert-butoxycarbonylamino)-3-hydroxy-3-keto-propyl]thio]benzoic acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6S/c1-15(2,3)23-14(22)17-10(13(20)21)7-24-11-5-4-8(12(18)19)6-9(11)16/h4-6,10H,7,16H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)