[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H31N3O6/c1-6-29-16-9-7-15(8-10-16)19(26)24-18(14(4)5)20(27)30-12-17(25)23-21(28)22-11-13(2)3/h7-10,13-14,18H,6,11-12H2,1-5H3,(H,24,26)(H2,22,23,25,28)/t18-/m0/s1