3-[(4S)-4-(1H-imidazol-5-ylmethyl)-2-methyl-5-oxidanylidene-1-phenylazanyl-imidazolidin-2-yl]propanoic acid

Systemtic Name: 3-[(4S)-4-(1H-imidazol-5-ylmethyl)-2-methyl-5-oxidanylidene-1-phenylazanyl-imidazolidin-2-yl]propanoic acid Openeye Name: 3-[(4S)-1-anilino-4-(1H-imidazol-5-ylmethyl)-2-methyl-5-oxo-imidazolidin-2-yl]propanoic acid CAS Name: 3-[(4S)-1-anilino-4-(1H-imidazol-5-ylmethyl)-2-methyl-5-oxo-2-imidazolidinyl]propanoic acid IUPAC Name: 3-[(4S)-1-anilino-4-(1H-imidazol-5-ylmethyl)-2-methyl-5-oxoimidazolidin-2-yl]propanoic acid Traditional Name: 3-[(4S)-1-anilino-4-(1H-imidazol-5-ylmethyl)-5-keto-2-methyl-imidazolidin-2-yl]propionic acid Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(C(=O)N1NC2=CC=CC=C2)CC3=CN=CN3)CCC(=O)O

Isomeric SMILES

CC1(N[C@H](C(=O)N1NC2=CC=CC=C2)CC3=CN=CN3)CCC(=O)O

InChI

InChI=1S/C17H21N5O3/c1-17(8-7-15(23)24)20-14(9-13-10-18-11-19-13)16(25)22(17)21-12-5-3-2-4-6-12/h2-6,10-11,14,20-21H,7-9H2,1H3,(H,18,19)(H,23,24)/t14-,17?/m0/s1