2-[(2-azanyl-3-phenyl-propanoyl)-(tert-butylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanamide dihydrochloride

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(tert-butylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanamide dihydrochloride Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(tert-butylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanamide dihydrochloride CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-[(tert-butylamino)-oxomethyl]amino]-3-(4H-imidazol-4-yl)propanamide dihydrochloride IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(tert-butylcarbamoyl)amino]-3-(4H-imidazol-4-yl)propanamide dihydrochloride Traditional Name: 2-[tert-butylcarbamoyl(phenylalanyl)amino]-3-(4H-imidazol-4-yl)propionamide dihydrochloride Formula: C20H30Cl2N6O3 MolecularWeight: 473.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(C(CC1C=NC=N1)C(=O)N)C(=O)C(CC2=CC=CC=C2)N.Cl.Cl

Isomeric SMILES

CC(C)(C)NC(=O)N(C(CC1C=NC=N1)C(=O)N)C(=O)C(CC2=CC=CC=C2)N.Cl.Cl

InChI

InChI=1S/C20H28N6O3.2ClH/c1-20(2,3)25-19(29)26(16(17(22)27)10-14-11-23-12-24-14)18(28)15(21)9-13-7-5-4-6-8-13;;/h4-8,11-12,14-16H,9-10,21H2,1-3H3,(H2,22,27)(H,25,29);2*1H