dimethyl 2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N

InChI

InChI=1S/C16H22N2O5/c1-5-9(2)13(17)14(19)18-12-8-10(15(20)22-3)6-7-11(12)16(21)23-4/h6-9,13H,5,17H2,1-4H3,(H,18,19)/t9-,13-/m0/s1