[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C20H30N4O5/c1-13(2)10-11-21-19(27)23-16(25)12-29-18(26)17(14(3)4)24-20(28)22-15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H2,22,24,28)(H2,21,23,25,27)/t17-/m0/s1