2-[2-[(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(5-amino-1-carboxy-pentyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(6-amino-1-hydroxy-1-oxohexan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(6-amino-1-hydroxy-1-oxohexan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(5-amino-1-carboxy-pentyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5/c1-12(21-15(18(24)25)8-4-5-9-20)17(23)22-11-14-7-3-2-6-13(14)10-16(22)19(26)27/h2-3,6-7,12,15-16,21H,4-5,8-11,20H2,1H3,(H,24,25)(H,26,27)