1-[(Benzyloxy)carbonyl]-5-methyl-N-(2-phenoxybenzoyl)tryptophan
[CAS# 753504-14-2]

Identification

• Name: 1-[(Benzyloxy)carbonyl]-5-methyl-N-(2-phenoxybenzoyl)tryptophan
• Synonyms: 3-[5-methyl-1-(phenylmethoxycarbonyl)indol-3-yl]-2-[[2-(phenoxy)benzoyl]amino]propanoic acid; R5C3; R7529_SIGMA
• Molecular Formula: C₃₃H₂₈N₂O₆
• Molecular Weight: 548.59
• CAS Registry Number: 753504-14-2
• 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
• 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)
• InChIKey: FHNQOOZTZWBWQO-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Refractive index: 1.627 (Cal.)