(2R,4S)-2-azanyl-4-[[4-(1-benzothiophen-2-yl)phenyl]methyl]pentanedioic acid

Systemtic Name: (2R,4S)-2-azanyl-4-[[4-(1-benzothiophen-2-yl)phenyl]methyl]pentanedioic acid Openeye Name: (2R,4S)-2-amino-4-[[4-(benzothiophen-2-yl)phenyl]methyl]pentanedioic acid CAS Name: (2R,4S)-2-amino-4-[[4-(1-benzothiophen-2-yl)phenyl]methyl]pentanedioic acid IUPAC Name: (2R,4S)-2-amino-4-[[4-(1-benzothiophen-2-yl)phenyl]methyl]pentanedioic acid Traditional Name: (2R,4S)-2-amino-4-[4-(benzothiophen-2-yl)benzyl]glutaric acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C3=CC=C(C=C3)CC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C3=CC=C(C=C3)C[C@@H](C[C@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C20H19NO4S/c21-16(20(24)25)10-15(19(22)23)9-12-5-7-13(8-6-12)18-11-14-3-1-2-4-17(14)26-18/h1-8,11,15-16H,9-10,21H2,(H,22,23)(H,24,25)/t15-,16+/m0/s1