ethyl 2-[[(2S,3R)-2-azanyl-3-methyl-pentanoyl]amino]benzoate

Systemtic Name: ethyl 2-[[(2S,3R)-2-azanyl-3-methyl-pentanoyl]amino]benzoate Openeye Name: ethyl 2-[[(2S,3R)-2-amino-3-methyl-pentanoyl]amino]benzoate CAS Name: 2-[[(2S,3R)-2-amino-3-methyl-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]benzoate Traditional Name: 2-[[(2S,3R)-2-amino-3-methyl-pentanoyl]amino]benzoic acid ethyl ester Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=CC=C1C(=O)OCC)N

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)NC1=CC=CC=C1C(=O)OCC)N

InChI

InChI=1S/C15H22N2O3/c1-4-10(3)13(16)14(18)17-12-9-7-6-8-11(12)15(19)20-5-2/h6-10,13H,4-5,16H2,1-3H3,(H,17,18)/t10-,13+/m1/s1