4-[[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate Openeye Name: 4-[[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2R)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]methyl]benzoate IUPAC Name: 4-[[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]methyl]benzoate Formula: C27H24N3O5- MolecularWeight: 470.49656

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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)NCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C27H25N3O5/c31-25(29-15-18-10-12-20(13-11-18)26(32)33)24(14-21-16-28-23-9-5-4-8-22(21)23)30-27(34)35-17-19-6-2-1-3-7-19/h1-13,16,24,28H,14-15,17H2,(H,29,31)(H,30,34)(H,32,33)/p-1/t24-/m1/s1