3-oxidanylidene-3-[[3-oxidanyl-1-(phenylmethoxycarbonylamino)hex-4-yn-2-yl]amino]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[[3-oxidanyl-1-(phenylmethoxycarbonylamino)hex-4-yn-2-yl]amino]propanoic acid Openeye Name: 3-[[1-(benzyloxycarbonylaminomethyl)-2-hydroxy-pent-3-ynyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[3-hydroxy-1-(phenylmethoxycarbonylamino)hex-4-yn-2-yl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[3-hydroxy-1-(phenylmethoxycarbonylamino)hex-4-yn-2-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[1-(benzyloxycarbonylaminomethyl)-2-hydroxy-pent-3-ynyl]amino]-3-keto-propionic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C(CNC(=O)OCC1=CC=CC=C1)NC(=O)CC(=O)O)O

Isomeric SMILES

CC#CC(C(CNC(=O)OCC1=CC=CC=C1)NC(=O)CC(=O)O)O

InChI

InChI=1S/C17H20N2O6/c1-2-6-14(20)13(19-15(21)9-16(22)23)10-18-17(24)25-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,20H,9-11H2,1H3,(H,18,24)(H,19,21)(H,22,23)