2-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O5/c1-12(2)16(21-19(26)27-20(3,4)5)17(23)22-11-14-9-7-6-8-13(14)10-15(22)18(24)25/h6-9,12,15-16H,10-11H2,1-5H3,(H,21,26)(H,24,25)/t15?,16-/m0/s1