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(3S,6S)-3-(2-Methylsulfanylethyl)-6-(Phenylmethyl)-1,4,7-Triazacyclotridecane-2,5,8-Trione
[CAS# 77052-97-2]

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CAS#: 77052-97-2
Product: (3S,6S)-3-(2-Methylsulfanylethyl)-6-(Phenylmethyl)-1,4,7-Triazacyclotridecane-2,5,8-Trione
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Identification
Name (3S,6S)-3-(2-Methylsulfanylethyl)-6-(Phenylmethyl)-1,4,7-Triazacyclotridecane-2,5,8-Trione
Synonyms (3S,6S)-3-[2-(Methylthio)Ethyl]-6-(Phenylmethyl)-1,4,7-Triazacyclotridecane-2,5,8-Trione; (3S,6S)-6-(Benzyl)-3-[2-(Methylthio)Ethyl]-1,4,7-Triazacyclotridecane-2,5,8-Trione; Cyclo(Phenylalanylmethionine-Epsilon-Aminohexanoic Acid)
Molecular Structure CAS#: 77052-97-2, (3S,6S)-3-(2-Methylsulfanylethyl)-6-(Phenylmethyl)-1,4,7-Triazacyclotridecane-2,5,8-Trione
Molecular Formula C20H29N3O3S
Molecular Weight 391.53
CAS Registry Number 77052-97-2
SMILES [C@H]1(NC(=O)CCCCCNC(=O)[C@@H](NC1=O)CCSC)CC2=CC=CC=C2
InChI 1S/C20H29N3O3S/c1-27-13-11-16-19(25)21-12-7-3-6-10-18(24)22-17(20(26)23-16)14-15-8-4-2-5-9-15/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/m0/s1
InChIKey QRMSNDYYMOKSDR-IRXDYDNUSA-N
Properties
Density 1.104g/cm3 (Cal.)
Boiling point 732.617°C at 760 mmHg (Cal.)
Flash point 396.873°C (Cal.)
Market Analysis Reports
List of Reports Available for (3S,6S)-3-(2-Methylsulfanylethyl)-6-(Phenylmethyl)-1,4,7-Triazacyclotridecane-2,5,8-Trione
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