2-azanyl-4-(2-benzamidoethanoylamino)-5-(1H-imidazol-5-yl)-2-(2-methylpropyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-4-(2-benzamidoethanoylamino)-5-(1H-imidazol-5-yl)-2-(2-methylpropyl)-3-oxidanylidene-pentanoic acid Openeye Name: 2-amino-4-[(2-benzamidoacetyl)amino]-5-(1H-imidazol-5-yl)-2-isobutyl-3-oxo-pentanoic acid CAS Name: 2-amino-4-[(2-benzamido-1-oxoethyl)amino]-5-(1H-imidazol-5-yl)-2-(2-methylpropyl)-3-oxopentanoic acid IUPAC Name: 2-amino-4-[(2-benzamidoacetyl)amino]-5-(1H-imidazol-5-yl)-2-(2-methylpropyl)-3-oxopentanoic acid Traditional Name: 2-amino-4-(hippuroylamino)-5-(1H-imidazol-5-yl)-2-isobutyl-3-keto-valeric acid Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C21H27N5O5/c1-13(2)9-21(22,20(30)31)18(28)16(8-15-10-23-12-25-15)26-17(27)11-24-19(29)14-6-4-3-5-7-14/h3-7,10,12-13,16H,8-9,11,22H2,1-2H3,(H,23,25)(H,24,29)(H,26,27)(H,30,31)