2-azanyl-5-[6-(1H-imidazol-5-ylmethylamino)-6-naphthalen-1-yl-cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[6-(1H-imidazol-5-ylmethylamino)-6-naphthalen-1-yl-cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-(1-naphthyl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxo-pentanoic acid CAS Name: 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-(1-naphthalenyl)-1-cyclohexa-2,4-dienyl]-4,4-dimethyl-5-oxopentanoic acid IUPAC Name: 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-naphthalen-1-ylcyclohexa-2,4-dien-1-yl]-4,4-dimethyl-5-oxopentanoic acid Traditional Name: 2-amino-5-[6-(1H-imidazol-5-ylmethylamino)-6-(1-naphthyl)cyclohexa-2,4-dien-1-yl]-5-keto-4,4-dimethyl-valeric acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)N)C(=O)C1C=CC=CC1(C2=CC=CC3=CC=CC=C32)NCC4=CN=CN4

Isomeric SMILES

CC(C)(CC(C(=O)O)N)C(=O)C1C=CC=CC1(C2=CC=CC3=CC=CC=C32)NCC4=CN=CN4

InChI

InChI=1S/C27H30N4O3/c1-26(2,14-23(28)25(33)34)24(32)22-11-5-6-13-27(22,31-16-19-15-29-17-30-19)21-12-7-9-18-8-3-4-10-20(18)21/h3-13,15,17,22-23,31H,14,16,28H2,1-2H3,(H,29,30)(H,33,34)