(2S,4R)-1-(2-azanyl-4-methyl-pentanoyl)-4-benzamido-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(2-azanyl-4-methyl-pentanoyl)-4-benzamido-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(2-amino-4-methyl-pentanoyl)-4-benzamido-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(2-amino-4-methyl-1-oxopentyl)-4-benzamido-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(2-amino-4-methylpentanoyl)-4-benzamidopyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-(2-amino-4-methyl-pentanoyl)-4-benzamido-proline Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC(CC1C(=O)O)NC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)N1C[C@@H](C[C@H]1C(=O)O)NC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C18H25N3O4/c1-11(2)8-14(19)17(23)21-10-13(9-15(21)18(24)25)20-16(22)12-6-4-3-5-7-12/h3-7,11,13-15H,8-10,19H2,1-2H3,(H,20,22)(H,24,25)/t13-,14?,15+/m1/s1