bis[[2-acetyloxy-4-(prop-2-ynylamino)phenyl]carbonyl] 2-azanylpentanedioate

Systemtic Name: bis[[2-acetyloxy-4-(prop-2-ynylamino)phenyl]carbonyl] 2-azanylpentanedioate Openeye Name: bis[2-acetoxy-4-(prop-2-ynylamino)benzoyl] 2-aminopentanedioate CAS Name: 2-aminopentanedioic acid bis[[2-acetyloxy-4-(prop-2-ynylamino)phenyl]-oxomethyl] ester IUPAC Name: bis[2-acetyloxy-4-(prop-2-ynylamino)benzoyl] 2-aminopentanedioate Traditional Name: 2-aminoglutaric acid bis[2-acetoxy-4-(propargylamino)benzoyl] ester Formula: C29H27N3O10 MolecularWeight: 577.53878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)NCC#C)C(=O)OC(=O)CCC(C(=O)OC(=O)C2=C(C=C(C=C2)NCC#C)OC(=O)C)N

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)NCC#C)C(=O)OC(=O)CCC(C(=O)OC(=O)C2=C(C=C(C=C2)NCC#C)OC(=O)C)N

InChI

InChI=1S/C29H27N3O10/c1-5-13-31-19-7-9-21(24(15-19)39-17(3)33)27(36)41-26(35)12-11-23(30)29(38)42-28(37)22-10-8-20(32-14-6-2)16-25(22)40-18(4)34/h1-2,7-10,15-16,23,31-32H,11-14,30H2,3-4H3