[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic 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] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C20H21N3O6/c21-20(26)23-15(10-13-4-2-1-3-5-13)19(25)29-12-18(24)22-14-6-7-16-17(11-14)28-9-8-27-16/h1-7,11,15H,8-10,12H2,(H,22,24)(H3,21,23,26)/t15-/m0/s1