(2S)-2,6-bis(azanyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide; ethanoic acid

Systemtic Name: (2S)-2,6-bis(azanyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)hexanamide; ethanoic acid Openeye Name: acetic acid; (2S)-2,6-diamino-N-(4-methyl-2-oxo-chromen-7-yl)hexanamide CAS Name: acetic acid; (2S)-2,6-diamino-N-(4-methyl-2-oxo-1-benzopyran-7-yl)hexanamide IUPAC Name: acetic acid; (2S)-2,6-diamino-N-(4-methyl-2-oxochromen-7-yl)hexanamide Traditional Name: acetic acid; (2S)-2,6-diamino-N-(2-keto-4-methyl-chromen-7-yl)hexanamide Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCCN)N.CC(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCN)N.CC(=O)O

InChI

InChI=1S/C16H21N3O3.C2H4O2/c1-10-8-15(20)22-14-9-11(5-6-12(10)14)19-16(21)13(18)4-2-3-7-17;1-2(3)4/h5-6,8-9,13H,2-4,7,17-18H2,1H3,(H,19,21);1H3,(H,3,4)/t13-;/m0./s1