2-[3-but-3-enyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-5,6-dihydro-4H-1,2-diazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-but-3-enyl-7-oxidanylidene-6-(phenylmethoxycarbonylamino)-5,6-dihydro-4H-1,2-diazepin-1-yl]ethanoic acid Openeye Name: 2-[6-(benzyloxycarbonylamino)-3-but-3-enyl-7-oxo-5,6-dihydro-4H-diazepin-1-yl]acetic acid CAS Name: 2-[3-but-3-enyl-7-oxo-6-(phenylmethoxycarbonylamino)-5,6-dihydro-4H-diazepin-1-yl]acetic acid IUPAC Name: 2-[3-but-3-enyl-7-oxo-6-(phenylmethoxycarbonylamino)-5,6-dihydro-4H-diazepin-1-yl]acetic acid Traditional Name: 2-[6-(benzyloxycarbonylamino)-3-but-3-enyl-7-keto-5,6-dihydro-4H-diazepin-1-yl]acetic acid Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=NN(C(=O)C(CC1)NC(=O)OCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

C=CCCC1=NN(C(=O)C(CC1)NC(=O)OCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C19H23N3O5/c1-2-3-9-15-10-11-16(18(25)22(21-15)12-17(23)24)20-19(26)27-13-14-7-5-4-6-8-14/h2,4-8,16H,1,3,9-13H2,(H,20,26)(H,23,24)