(2S)-3-(7-iodanyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(7-iodanyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(7-iodo-1H-indol-3-yl)propanoic acid CAS Name: (2S)-3-(7-iodo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(7-iodo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(7-iodo-1H-indol-3-yl)propionic acid Formula: C19H17IN2O4 MolecularWeight: 464.25375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=C2C=CC=C3I)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=C2C=CC=C3I)C(=O)O

InChI

InChI=1S/C19H17IN2O4/c20-15-8-4-7-14-13(10-21-17(14)15)9-16(18(23)24)22-19(25)26-11-12-5-2-1-3-6-12/h1-8,10,16,21H,9,11H2,(H,22,25)(H,23,24)/t16-/m0/s1