[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-6-14(2)23-20(28)24-17(25)13-29-18(26)11-12-22-19(27)15-7-9-16(10-8-15)21(3,4)5/h7-10,14H,6,11-13H2,1-5H3,(H,22,27)(H2,23,24,25,28)/t14-/m0/s1