(3S)-2-[[(2S)-2-carboxy-4-phenyl-butyl]-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[[(2S)-2-carboxy-4-phenyl-butyl]-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[[(2S)-2-carboxy-4-phenyl-butyl]-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[[(2S)-2-carboxy-4-phenylbutyl]-ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[[(2S)-2-carboxy-4-phenylbutyl]-ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[[(2S)-2-carboxy-4-phenyl-butyl]-ethyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CCC1=CC=CC=C1)C(=O)O)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCN(C[C@H](CCC1=CC=CC=C1)C(=O)O)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O

InChI

InChI=1S/C24H28N2O5/c1-2-25(15-20(22(27)28)13-12-17-8-4-3-5-9-17)24(31)26-16-19-11-7-6-10-18(19)14-21(26)23(29)30/h3-11,20-21H,2,12-16H2,1H3,(H,27,28)(H,29,30)/t20-,21-/m0/s1