5-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[[(4S)-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]benzoic acid Traditional Name: 5-[[(4S)-4-(tert-butoxycarbonylamino)-5-keto-5-methoxy-pentanoyl]amino]-2-hydroxy-benzoic acid Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC1=CC(=C(C=C1)O)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC1=CC(=C(C=C1)O)C(=O)O)C(=O)OC

InChI

InChI=1S/C18H24N2O8/c1-18(2,3)28-17(26)20-12(16(25)27-4)6-8-14(22)19-10-5-7-13(21)11(9-10)15(23)24/h5,7,9,12,21H,6,8H2,1-4H3,(H,19,22)(H,20,26)(H,23,24)/t12-/m0/s1