[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H29N3O5S/c1-14(2)9-11-21-20(27)23-17(24)13-28-19(26)16(10-12-29-3)22-18(25)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,22,25)(H2,21,23,24,27)