ethyl 4-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[(2S)-5-amino-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Traditional Name: 4-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]benzoic acid ethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O6/c1-2-30-21(28)16-8-10-17(11-9-16)24-20(27)18(12-13-19(23)26)25-22(29)31-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3,(H2,23,26)(H,24,27)(H,25,29)/t18-/m0/s1