(2R,4S)-2-azanyl-4-[(4-thiophen-3-ylphenyl)methyl]pentanedioic acid

Systemtic Name: (2R,4S)-2-azanyl-4-[(4-thiophen-3-ylphenyl)methyl]pentanedioic acid Openeye Name: (2R,4S)-2-amino-4-[[4-(3-thienyl)phenyl]methyl]pentanedioic acid CAS Name: (2R,4S)-2-amino-4-[[4-(3-thiophenyl)phenyl]methyl]pentanedioic acid IUPAC Name: (2R,4S)-2-amino-4-[(4-thiophen-3-ylphenyl)methyl]pentanedioic acid Traditional Name: (2R,4S)-2-amino-4-[4-(3-thienyl)benzyl]glutaric acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(C(=O)O)N)C(=O)O)C2=CSC=C2

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C[C@H](C(=O)O)N)C(=O)O)C2=CSC=C2

InChI

InChI=1S/C16H17NO4S/c17-14(16(20)21)8-13(15(18)19)7-10-1-3-11(4-2-10)12-5-6-22-9-12/h1-6,9,13-14H,7-8,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1