[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C19H19N3O6/c20-19(25)22-14(8-12-4-2-1-3-5-12)18(24)26-10-17(23)21-13-6-7-15-16(9-13)28-11-27-15/h1-7,9,14H,8,10-11H2,(H,21,23)(H3,20,22,25)/t14-/m0/s1