(3S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O

InChI

InChI=1S/C16H20N2O5/c1-9(2)13(15(21)22)17-16(23)18-8-11-6-4-3-5-10(11)7-12(18)14(19)20/h3-6,9,12-13H,7-8H2,1-2H3,(H,17,23)(H,19,20)(H,21,22)/t12-,13-/m0/s1