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Home >> Chemical Listing >> I >> (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

(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]

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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 Structure CAS # 213769-33-6, (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 ºC (760 mmHg), Calc.*
Flash Point 598.1±34.3 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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