Home > Product Catalog > Brand Category > (2S,4S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

(2S,4S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

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Catalog No. : NC428153

CAS No. : 1797406-72-4

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Molecular Formula : C₄₉H₆₀ClN₉O₈S₂

Chemical Name : (2S,4S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

Molecular Weight : 1,002.64

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Basic information

Standard English name
Cas No.	1797406-72-4
Alias	(2S,4S)-1-((S)-2-(tert-Butyl)-17-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-4,16-dioxo-6,9,12-trioxa-3,15-diazaheptadecanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide , cis-MZ 1
Canonical Smiles	CC1SC2=C(C(=N[C@@H](CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)NCC3C=CC(=CC=3)C3SC=NC=3C)C(C)(C)C)C3=NN=C(C)N23)C2C=CC(Cl)=CC=2)C=1C
MDL No.
Exact Mass	1,001.36948
Smiles	O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C[C@H]2C3=NN=C(C)N3C4=C(C(C)=C(C)S4)C(C5=CC=C(Cl)C=C5)=N2)=O)=O)=O)C[C@@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6

Security information

Character
Storage Condition
Melting Point
Boiling Point
Flash Point
Chemical Stability
Density
Vapor Pressure
GHS
Signal Word	Warning
Dangerous Goods	GHS07
Hazard Category	H302;H315;H319;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions	P261;P305+P351+P338
Water Solubility
Storage Temp.	Store in 2-8°C for long term (months)
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature
Useage
Inchi	InChI=1S/C49H60ClN9O8S2/c1-28-30(3)69-48-41(28)42(33-12-14-35(50)15-13-33)54-37(45-57-56-31(4)59(45)48)23-39(61)51-16-17-65-18-19-66-20-21-67-26-40(62)55-44(49(5,6)7)47(64)58-25-36(60)22-38(58)46(63)52-24-32-8-10-34(11-9-32)43-29(2)53-27-68-43/h8-15,27,36-38,44,60H,16-26H2,1-7H3,(H,51,61)(H,52,63)(H,55,62)/t36-,37-,38-,44+/m0/s1
InchiKey	PTAMRJLIOCHJMQ-HADAFJFFSA-N
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History

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