2-chloranyl-6-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-6-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoic acid Openeye Name: 2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-6-chloro-benzoic acid CAS Name: 2-chloro-6-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-6-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoic acid Traditional Name: 2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-6-chloro-benzoic acid Formula: C17H23ClN2O5 MolecularWeight: 370.82792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=C(C(=CC=C1)Cl)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23ClN2O5/c1-9(2)13(20-16(24)25-17(3,4)5)14(21)19-11-8-6-7-10(18)12(11)15(22)23/h6-9,13H,1-5H3,(H,19,21)(H,20,24)(H,22,23)/t13-/m0/s1