[(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate Openeye Name: [(1S)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(2S)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(1S)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)CCCCCNC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-14(17(23)21(2)13-15-9-5-3-6-10-15)25-16(22)11-7-4-8-12-20-18(19)24/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H3,19,20,24)/t14-/m0/s1