4-[[(2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-1H-imidazole-5-carboxamide

Systemtic Name: 4-[[(2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-1H-imidazole-5-carboxamide Openeye Name: 4-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]-1H-imidazole-5-carboxamide CAS Name: 4-[[(2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1H-imidazole-5-carboxamide IUPAC Name: 4-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]-1H-imidazole-5-carboxamide Traditional Name: 4-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]-1H-imidazole-5-carboxamide Formula: C18H23N5O4 MolecularWeight: 373.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=C(NC=N2)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=C(NC=N2)C(=O)N

InChI

InChI=1S/C18H23N5O4/c1-4-27-12-7-5-11(6-8-12)17(25)22-13(10(2)3)18(26)23-16-14(15(19)24)20-9-21-16/h5-10,13H,4H2,1-3H3,(H2,19,24)(H,20,21)(H,22,25)(H,23,26)/t13-/m0/s1