diethyl (2S)-2-[[2-acetyloxy-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[2-acetyloxy-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[2-acetoxy-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[2-acetyloxy-4-(prop-2-ynylamino)phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[2-acetyloxy-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-acetoxy-4-(propargylamino)benzoyl]amino]glutaric acid diethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(C=C1)NCC#C)OC(=O)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=C(C=C(C=C1)NCC#C)OC(=O)C

InChI

InChI=1S/C21H26N2O7/c1-5-12-22-15-8-9-16(18(13-15)30-14(4)24)20(26)23-17(21(27)29-7-3)10-11-19(25)28-6-2/h1,8-9,13,17,22H,6-7,10-12H2,2-4H3,(H,23,26)/t17-/m0/s1