3-(1H-imidazol-5-yl)-2-[[(2S)-2-methylpyrrolidin-2-yl]carbonyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[(2S)-2-methylpyrrolidin-2-yl]carbonyl-(phenylmethyl)amino]propanoic acid Openeye Name: 2-[benzyl-[(2S)-2-methylpyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[[(2S)-2-methyl-2-pyrrolidinyl]-oxomethyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl-[(2S)-2-methylpyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[benzyl-[(2S)-2-methylprolyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1)C(=O)N(CC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)O

Isomeric SMILES

C[C@]1(CCCN1)C(=O)N(CC2=CC=CC=C2)C(CC3=CN=CN3)C(=O)O

InChI

InChI=1S/C19H24N4O3/c1-19(8-5-9-22-19)18(26)23(12-14-6-3-2-4-7-14)16(17(24)25)10-15-11-20-13-21-15/h2-4,6-7,11,13,16,22H,5,8-10,12H2,1H3,(H,20,21)(H,24,25)/t16?,19-/m0/s1