2-[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxidanylidene-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxidanylidene-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-morpholino-3-oxo-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-(4-morpholinyl)-1,3-dioxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(4-amidinobenzyl)-3-keto-3-morpholino-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

C1COCCN1C(=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C25H28N4O5/c26-22(27)17-7-5-16(6-8-17)13-20(23(30)28-9-11-34-12-10-28)24(31)29-15-19-4-2-1-3-18(19)14-21(29)25(32)33/h1-8,20-21H,9-15H2,(H3,26,27)(H,32,33)