[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 6-(aminocarbonylamino)hexanoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C19H29N3O4 MolecularWeight: 363.45126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCCCCNC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C19H29N3O4/c1-13(2)15-8-10-16(11-9-15)22-18(24)14(3)26-17(23)7-5-4-6-12-21-19(20)25/h8-11,13-14H,4-7,12H2,1-3H3,(H,22,24)(H3,20,21,25)/t14-/m0/s1