(S)-N-((3S,6S,9R)-6-((1H-indol-3-yl)methyl)-3-benzyl-2,5,8-trioxo-1,4,7-triazacyclotridecan-9-yl)-2-amino-3-(4-hydroxyphenyl)propanamide
[CAS# 213769-33-6]

Identification

• Name: (S)-N-((3S,6S,9R)-6-((1H-indol-3-yl)methyl)-3-benzyl-2,5,8-trioxo-1,4,7-triazacyclotridecan-9-yl)-2-amino-3-(4-hydroxyphenyl)propanamide
• Molecular Formula: C₃₅H₄₀N₆O₅
• Molecular Weight: 624.73
• CAS Registry Number: 213769-33-6
• SMILES: C1CCNC(=O)C(NC(=O)C(NC(=O)C(C1)NC(=O)C(CC2=CC=C(C=C2)O)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.675, Calc.^*
• Boiling Point: 1065.4±65.0 °C (760 mmHg), Calc.^*
• Flash Point: 598.1±34.3 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.