4-fluoranyl-3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoyl]amino]benzoic acid Openeye Name: 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-[[(4S)-5-methoxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,5-dioxopentyl]amino]benzoic acid IUPAC Name: 4-fluoro-3-[[(4S)-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]benzoic acid Traditional Name: 3-[[(4S)-4-(tert-butoxycarbonylamino)-5-keto-5-methoxy-pentanoyl]amino]-4-fluoro-benzoic acid Formula: C18H23FN2O7 MolecularWeight: 398.382823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O7/c1-18(2,3)28-17(26)21-12(16(25)27-4)7-8-14(22)20-13-9-10(15(23)24)5-6-11(13)19/h5-6,9,12H,7-8H2,1-4H3,(H,20,22)(H,21,26)(H,23,24)/t12-/m0/s1