(2S)-2-[(4-methylazulen-1-yl)carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(4-methylazulen-1-yl)carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[(4-methylazulene-1-carbonyl)amino]pentanedioic acid CAS Name: (2S)-2-[[(4-methyl-1-azulenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(4-methylazulene-1-carbonyl)amino]pentanedioic acid Traditional Name: (2S)-2-[(4-methylazulene-1-carbonyl)amino]glutaric acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C2C1=CC=C2C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C2C1=CC=C2C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H17NO5/c1-10-4-2-3-5-12-11(10)6-7-13(12)16(21)18-14(17(22)23)8-9-15(19)20/h2-7,14H,8-9H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t14-/m0/s1