(2S)-3-(5-cyano-1-phenylmethoxycarbonyl-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(5-cyano-1-phenylmethoxycarbonyl-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1-benzyloxycarbonyl-5-cyano-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid CAS Name: (2S)-3-(5-cyano-1-phenylmethoxycarbonyl-3-indolyl)-2-[[oxo-(2-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-cyano-1-phenylmethoxycarbonylindol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(1-carbobenzoxy-5-cyano-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propionic acid Formula: C33H25N3O6 MolecularWeight: 559.5681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=C(C3=C2C=CC(=C3)C#N)CC(C(=O)O)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=C(C3=C2C=CC(=C3)C#N)C[C@@H](C(=O)O)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5

InChI

InChI=1S/C33H25N3O6/c34-19-23-15-16-29-27(17-23)24(20-36(29)33(40)41-21-22-9-3-1-4-10-22)18-28(32(38)39)35-31(37)26-13-7-8-14-30(26)42-25-11-5-2-6-12-25/h1-17,20,28H,18,21H2,(H,35,37)(H,38,39)/t28-/m0/s1