4-oxidanylidene-3-[2-(phenylmethoxycarbonylamino)ethanoylamino]-4-(pyridin-2-ylmethylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-(phenylmethoxycarbonylamino)ethanoylamino]-4-(pyridin-2-ylmethylamino)butanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-oxo-4-(2-pyridylmethylamino)butanoic acid CAS Name: 4-oxo-3-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-4-(2-pyridinylmethylamino)butanoic acid IUPAC Name: 4-oxo-3-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-4-(pyridin-2-ylmethylamino)butanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-keto-4-(2-pyridylmethylamino)butyric acid Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C20H22N4O6/c25-17(12-23-20(29)30-13-14-6-2-1-3-7-14)24-16(10-18(26)27)19(28)22-11-15-8-4-5-9-21-15/h1-9,16H,10-13H2,(H,22,28)(H,23,29)(H,24,25)(H,26,27)