[2-[[3-(aminomethyl)phenyl]carbonylamino]-3-methyl-pentanoyl]-(1-methoxy-5-phenyl-pentan-3-yl)-oxidanylidene-azanium

Systemtic Name: [2-[[3-(aminomethyl)phenyl]carbonylamino]-3-methyl-pentanoyl]-(1-methoxy-5-phenyl-pentan-3-yl)-oxidanylidene-azanium Openeye Name: [2-[[3-(aminomethyl)benzoyl]amino]-3-methyl-pentanoyl]-[1-(2-methoxyethyl)-3-phenyl-propyl]-oxo-ammonium CAS Name: [2-[[[3-(aminomethyl)phenyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]-(1-methoxy-5-phenylpentan-3-yl)-oxoammonium IUPAC Name: [2-[[3-(aminomethyl)benzoyl]amino]-3-methylpentanoyl]-(1-methoxy-5-phenylpentan-3-yl)-oxoazanium Traditional Name: [2-[[3-(aminomethyl)benzoyl]amino]-3-methyl-pentanoyl]-keto-[1-(2-methoxyethyl)-3-phenyl-propyl]ammonium Formula: C26H36N3O4+ MolecularWeight: 454.58174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCOC)NC(=O)C2=CC(=CC=C2)CN

Isomeric SMILES

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCOC)NC(=O)C2=CC(=CC=C2)CN

InChI

InChI=1S/C26H35N3O4/c1-4-19(2)24(28-25(30)22-12-8-11-21(17-22)18-27)26(31)29(32)23(15-16-33-3)14-13-20-9-6-5-7-10-20/h5-12,17,19,23-24H,4,13-16,18,27H2,1-3H3/p+1