[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino] benzoate

Systemtic Name: [[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino] benzoate Openeye Name: [[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino] benzoate CAS Name: benzoic acid [[[(2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino] ester IUPAC Name: [[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino] benzoate Traditional Name: benzoic acid [[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]prolyl]amino] ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NOC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NOC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C17H23N3O4/c1-11(2)14(18)16(22)20-10-6-9-13(20)15(21)19-24-17(23)12-7-4-3-5-8-12/h3-5,7-8,11,13-14H,6,9-10,18H2,1-2H3,(H,19,21)/t13-,14-/m0/s1