3-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propionic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H23N3O5/c26-20(27)10-11-23-21(28)19(12-16-13-24-18-9-5-4-8-17(16)18)25-22(29)30-14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,28)(H,25,29)(H,26,27)/t19-/m0/s1