2-[[6-azanyl-1-[2-(carboxymethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[6-azanyl-1-[2-(carboxymethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[5-amino-1-[2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]pentyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[6-amino-1-[2-(carboxymethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[6-amino-1-[2-(carboxymethyl)-3,4-dihydro-1H-isoquinolin-1-yl]-1-oxohexan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[5-amino-1-[2-(carboxymethyl)-3,4-dihydro-1H-isoquinoline-1-carbonyl]pentyl]amino]-4-phenyl-butyric acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)C(CCCCN)NC(CCC3=CC=CC=C3)C(=O)O)CC(=O)O

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C(=O)C(CCCCN)NC(CCC3=CC=CC=C3)C(=O)O)CC(=O)O

InChI

InChI=1S/C27H35N3O5/c28-16-7-6-12-22(29-23(27(34)35)14-13-19-8-2-1-3-9-19)26(33)25-21-11-5-4-10-20(21)15-17-30(25)18-24(31)32/h1-5,8-11,22-23,25,29H,6-7,12-18,28H2,(H,31,32)(H,34,35)