(2S)-3-(6-bromanyl-1-phenylmethoxycarbonyl-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(6-bromanyl-1-phenylmethoxycarbonyl-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1-benzyloxycarbonyl-6-bromo-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid CAS Name: (2S)-3-(6-bromo-1-phenylmethoxycarbonyl-3-indolyl)-2-[[oxo-(2-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(6-bromo-1-phenylmethoxycarbonylindol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(6-bromo-1-carbobenzoxy-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propionic acid Formula: C32H25BrN2O6 MolecularWeight: 613.4547

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H25BrN2O6/c33-23-15-16-25-22(19-35(28(25)18-23)32(39)40-20-21-9-3-1-4-10-21)17-27(31(37)38)34-30(36)26-13-7-8-14-29(26)41-24-11-5-2-6-12-24/h1-16,18-19,27H,17,20H2,(H,34,36)(H,37,38)/t27-/m0/s1