(2S)-2-(prop-2-ynoxycarbonylamino)-3-(4-prop-2-ynoxycarbonyloxyphenyl)propanoic acid

Systemtic Name: (2S)-2-(prop-2-ynoxycarbonylamino)-3-(4-prop-2-ynoxycarbonyloxyphenyl)propanoic acid Openeye Name: (2S)-2-(prop-2-ynoxycarbonylamino)-3-(4-prop-2-ynoxycarbonyloxyphenyl)propanoic acid CAS Name: (2S)-3-[4-[oxo(prop-2-ynoxy)methoxy]phenyl]-2-[[oxo(prop-2-ynoxy)methyl]amino]propanoic acid IUPAC Name: (2S)-2-(prop-2-ynoxycarbonylamino)-3-(4-prop-2-ynoxycarbonyloxyphenyl)propanoic acid Traditional Name: (2S)-2-(propargyloxycarbonylamino)-3-(4-propargyloxycarbonyloxyphenyl)propionic acid Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)NC(CC1=CC=C(C=C1)OC(=O)OCC#C)C(=O)O

Isomeric SMILES

C#CCOC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)OCC#C)C(=O)O

InChI

InChI=1S/C17H15NO7/c1-3-9-23-16(21)18-14(15(19)20)11-12-5-7-13(8-6-12)25-17(22)24-10-4-2/h1-2,5-8,14H,9-11H2,(H,18,21)(H,19,20)/t14-/m0/s1