[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] (2R)-4-methyl-2-ureido-pentanoate CAS Name: (2R)-2-(carbamoylamino)-4-methylpentanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-ureido-valeric acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)N

InChI

InChI=1S/C17H23N3O6/c1-10(2)7-12(20-17(18)23)16(22)26-9-15(21)19-11-3-4-13-14(8-11)25-6-5-24-13/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,19,21)(H3,18,20,23)/t12-/m1/s1