1-[2,6-bis(azanyl)-4-oxidanyl-hexanoyl]-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-[2,6-bis(azanyl)-4-oxidanyl-hexanoyl]-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(1-carboxy-3-phenyl-propyl)-1-(2,6-diamino-4-hydroxy-hexanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-(2,6-diamino-4-hydroxy-1-oxohexyl)-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-(2,6-diamino-4-hydroxyhexanoyl)-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(1-carboxy-3-phenyl-propyl)-1-(2,6-diamino-4-hydroxy-hexanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(C2=CC=CC=C21)C(=O)C(CC(CCN)O)N)C(CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(N(C(C2=CC=CC=C21)C(=O)C(CC(CCN)O)N)C(CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C26H33N3O6/c27-13-12-18(30)15-20(28)24(31)23-19-9-5-4-8-17(19)14-22(26(34)35)29(23)21(25(32)33)11-10-16-6-2-1-3-7-16/h1-9,18,20-23,30H,10-15,27-28H2,(H,32,33)(H,34,35)