3-[3-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]-(3-oxidanylpropanoyl)amino]-3-oxidanylidene-propyl]-5,6-dimethyl-4-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-[3-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]-(3-oxidanylpropanoyl)amino]-3-oxidanylidene-propyl]-5,6-dimethyl-4-sulfanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-[2-[(tert-butoxycarbonylamino)-(3-hydroxypropanoyl)amino]-3-methoxy-3-oxo-propyl]-5,6-dimethyl-4-thioxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-[2-[(3-hydroxy-1-oxopropyl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]-3-methoxy-3-oxopropyl]-5,6-dimethyl-4-sulfanylidene-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-[2-[3-hydroxypropanoyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-methoxy-3-oxopropyl]-5,6-dimethyl-4-sulfanylidenecyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-[2-[(tert-butoxycarbonylamino)-(3-hydroxypropanoyl)amino]-3-keto-3-methoxy-propyl]-5,6-dimethyl-4-thioxo-cyclohexa-1,5-diene-1-carboxylic acid Formula: C21H30N2O8S MolecularWeight: 470.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)C(C=C1C(=O)O)CC(C(=O)OC)N(C(=O)CCO)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C(=S)C(C=C1C(=O)O)CC(C(=O)OC)N(C(=O)CCO)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H30N2O8S/c1-11-12(2)17(32)13(9-14(11)18(26)27)10-15(19(28)30-6)23(16(25)7-8-24)22-20(29)31-21(3,4)5/h9,13,15,24H,7-8,10H2,1-6H3,(H,22,29)(H,26,27)