(2S)-6-azanyl-8-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-octanoic acid

Systemtic Name: (2S)-6-azanyl-8-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-octanoic acid Openeye Name: (2S)-6-amino-2-(tert-butoxycarbonylamino)-8-(2-chlorophenyl)-7-oxo-octanoic acid CAS Name: (2S)-6-amino-8-(2-chlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxooctanoic acid IUPAC Name: (2S)-6-amino-8-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooctanoic acid Traditional Name: (2S)-6-amino-2-(tert-butoxycarbonylamino)-8-(2-chlorophenyl)-7-keto-caprylic acid Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC(C(=O)CC1=CC=CC=C1Cl)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCC(C(=O)CC1=CC=CC=C1Cl)N)C(=O)O

InChI

InChI=1S/C19H27ClN2O5/c1-19(2,3)27-18(26)22-15(17(24)25)10-6-9-14(21)16(23)11-12-7-4-5-8-13(12)20/h4-5,7-8,14-15H,6,9-11,21H2,1-3H3,(H,22,26)(H,24,25)/t14?,15-/m0/s1