[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 6-(aminocarbonylamino)hexanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCCCCNC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C17H23N3O6/c1-11(26-15(21)5-3-2-4-8-19-17(18)23)16(22)20-12-6-7-13-14(9-12)25-10-24-13/h6-7,9,11H,2-5,8,10H2,1H3,(H,20,22)(H3,18,19,23)/t11-/m1/s1