(2R,3S)-3-(4-aminophenyl)-2-benzamido-hex-5-ynoic acid

Systemtic Name: (2R,3S)-3-(4-aminophenyl)-2-benzamido-hex-5-ynoic acid Openeye Name: (2R,3S)-3-(4-aminophenyl)-2-benzamido-hex-5-ynoic acid CAS Name: (2R,3S)-3-(4-aminophenyl)-2-benzamido-5-hexynoic acid IUPAC Name: (2R,3S)-3-(4-aminophenyl)-2-benzamidohex-5-ynoic acid Traditional Name: (2R,3S)-3-(4-aminophenyl)-2-benzamido-hex-5-ynoic acid Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=C(C=C1)N)C(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C#CC[C@@H](C1=CC=C(C=C1)N)[C@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O3/c1-2-6-16(13-9-11-15(20)12-10-13)17(19(23)24)21-18(22)14-7-4-3-5-8-14/h1,3-5,7-12,16-17H,6,20H2,(H,21,22)(H,23,24)/t16-,17+/m0/s1