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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C18H25N3O4/c19-18(24)20-15(12-14-8-4-3-5-9-14)17(23)25-13-16(22)21-10-6-1-2-7-11-21/h3-5,8-9,15H,1-2,6-7,10-13H2,(H3,19,20,24)/t15-/m0/s1