[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)propanoate

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)propanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-ureidopropanoate CAS Name: 3-(carbamoylamino)propanoic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)propanoate Traditional Name: 3-ureidopropionic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCNC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)OC(=O)CCNC(=O)N

InChI

InChI=1S/C15H21N3O4/c1-9-4-5-10(2)12(8-9)18-14(20)11(3)22-13(19)6-7-17-15(16)21/h4-5,8,11H,6-7H2,1-3H3,(H,18,20)(H3,16,17,21)/t11-/m0/s1