(2S)-3-(3-chloranyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(3-chloranyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-chloro-4-hydroxy-phenyl)propanoic acid CAS Name: (2S)-3-(3-chloro-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(3-chloro-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-chloro-4-hydroxy-phenyl)propionic acid Formula: C17H16ClNO5 MolecularWeight: 355.721569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C=C2)O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](C[13C]2=[13CH][13C](=[13C]([13CH]=[13CH]2)O)Cl)C(=O)O

InChI

InChI=1S/C17H16ClNO5/c18-13-8-12(6-7-15(13)20)9-14(16(21)22)19-17(23)24-10-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2,(H,19,23)(H,21,22)/t14-/m0/s1/i6+1,7+1,8+1,12+1,13+1,15+1