[2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C19H27N3O4/c20-19(25)21-16(13-15-9-5-4-6-10-15)18(24)26-14-17(23)22-11-7-2-1-3-8-12-22/h4-6,9-10,16H,1-3,7-8,11-14H2,(H3,20,21,25)/t16-/m0/s1