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

Systemtic Name: (2S)-3-(5-methyl-1-phenylmethoxycarbonyl-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1-benzyloxycarbonyl-5-methyl-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid CAS Name: (2S)-3-(5-methyl-1-phenylmethoxycarbonyl-3-indolyl)-2-[[oxo-(2-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-methyl-1-phenylmethoxycarbonylindol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(1-carbobenzoxy-5-methyl-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propionic acid Formula: C33H28N2O6 MolecularWeight: 548.58522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2CC(C(=O)O)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2C[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H28N2O6/c1-22-16-17-29-27(18-22)24(20-35(29)33(39)40-21-23-10-4-2-5-11-23)19-28(32(37)38)34-31(36)26-14-8-9-15-30(26)41-25-12-6-3-7-13-25/h2-18,20,28H,19,21H2,1H3,(H,34,36)(H,37,38)/t28-/m0/s1