[1-oxidanylidene-1-(phenethylamino)-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamic acid

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamic acid Openeye Name: [4-(benzyloxycarbonylamino)-1-(phenethylcarbamoyl)butyl]carbamic acid CAS Name: [1-oxo-1-(phenethylamino)-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamic acid IUPAC Name: [1-oxo-1-(phenethylamino)-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamic acid Traditional Name: [4-(benzyloxycarbonylamino)-1-(phenethylcarbamoyl)butyl]carbamic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CCCNC(=O)OCC2=CC=CC=C2)NC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C(CCCNC(=O)OCC2=CC=CC=C2)NC(=O)O

InChI

InChI=1S/C22H27N3O5/c26-20(23-15-13-17-8-3-1-4-9-17)19(25-21(27)28)12-7-14-24-22(29)30-16-18-10-5-2-6-11-18/h1-6,8-11,19,25H,7,12-16H2,(H,23,26)(H,24,29)(H,27,28)