diethyl 2-[[(2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[(2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]propanedioate Openeye Name: diethyl 2-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]propanedioate CAS Name: 2-[[(2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]propanedioate Traditional Name: 2-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]malonic acid diethyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C21H30N2O7/c1-6-28-15-12-10-9-11-14(15)18(24)22-16(13(4)5)19(25)23-17(20(26)29-7-2)21(27)30-8-3/h9-13,16-17H,6-8H2,1-5H3,(H,22,24)(H,23,25)/t16-/m0/s1