2-[2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; ethanoic acid

Systemtic Name: 2-[2-benzamido-5-[bis(azanyl)methylideneamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide; ethanoic acid Openeye Name: acetic acid; 2-(2-benzamido-5-guanidino-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: acetic acid; 2-[2-benzamido-5-(diaminomethylideneamino)-1-oxopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: acetic acid; 2-[2-benzamido-5-(diaminomethylideneamino)pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: acetic acid; 2-(2-benzamido-5-guanidino-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H36N6O7 MolecularWeight: 556.61074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1C(N(CC2=CC=CC=C21)C(=O)C(CCCN=C(N)N)NC(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(=O)O.CC(=O)O.C1C(N(CC2=CC=CC=C21)C(=O)C(CCCN=C(N)N)NC(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H28N6O3.2C2H4O2/c24-20(30)19-13-16-9-4-5-10-17(16)14-29(19)22(32)18(11-6-12-27-23(25)26)28-21(31)15-7-2-1-3-8-15;2*1-2(3)4/h1-5,7-10,18-19H,6,11-14H2,(H2,24,30)(H,28,31)(H4,25,26,27);2*1H3,(H,3,4)