Tiprelestat,820211-82-3-Amadis Chemical

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[CAS No.820211-82-3] A961621 Tiprelestat 97%

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Catalog No.: A961621

Cas No.: 820211-82-3

Molecular Formula: C₂₅₄H₄₁₆N₇₂O₇₅S₁₀

Molecular Weight: 5,999.11

MDL NO:

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Quality Control of [820211-82-3]

NMR

CNMR

HPLC

LC-MS

Related Doc. of[820211-82-3]

SDS

Specification

MOL

SDF

Product Details [820211-82-3]

Synonyms: Tiprelestat

Appearance:

Storage: Store in 2-8°C for long term (months)

Boiling point:

Melting point:

Flash point:

Pubchem ID: 44201346

Smiles: S(C)CC[C@H]1C(N[C@@H](CC(C)C)C(N[C@@H](CC(N)=O)C(N2CCC[C@@H]2C(N2CCC[C@@H]2C(N[C@H](C(N[C@@H](C(N[C@H]2C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](CC(=O)O)C(N[C@H]3CSSC[C@H](C(N[C@H](CC4C=CC=CC=4)C(N[C@@H](C(C)C)C(N4CCC[C@@H]4C(N[C@@H](C(=O)O)CCC(N)=O)=O)=O)=O)=O)NC([C@@H](C)NC([C@@H](CCSC)NC(CNC([C@H]4CSSC[C@@H](C(N[C@@H](C)C(N1)=O)=O)NC([C@@H](CCCNC(=N)N)NC([C@@H]([C@H](C)CC)NC([C@@H](CC(C)C)NC([C@@H]([C@H](C)CC)NC([C@@H]([C@H](C)CC)NC([C@H]1CCCN1C([C@H](CSSC[C@@H](C(N[C@H](C(NCC(N[C@@H](CO)C(N4)=O)=O)=O)CCC(=O)O)=O)NC([C@H](CSSC2)NC([C@H](CCCCN)NC([C@@H](CCCCN)NC([C@H]([C@@H](C)CC)NC(CNC([C@@H]1CCCN1C3=O)=O)=O)=O)=O)=O)=O)NC([C@H](CO)NC(CNC([C@@H]1CCCN1C([C@H](CCCCN)NC([C@@H]([C@@H](C)O)NC([C@H](CO)NC([C@@H](C(C)C)NC([C@@H]1CCCN1C(CNC([C@H](CCCCN)NC([C@@H](C(C)C)NC([C@H]1CCCN1C([C@H](CCC(=O)O)NC([C@H](CCC(N)=O)NC([C@H](C)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](C)O)=O)CC(=O)O)=O)CCCCN)=O)CC(C)C)=O)=O)CCCNC(=N)N)=O)CC(N)=O)=O)=O)=O)=O)=O

InchiKey: MDCUNMLZLNGCQA-BIYYUWHJSA-N

Inchi: InChI=1S/C254H416N72O75S10/c1-28-129(17)195-239(387)288-142(60-38-43-85-258)208(356)283-141(59-37-42-84-257)210(358)306-168-120-407-406-119-167-228(376)294-152(99-123(5)6)215(363)284-140(58-36-41-83-256)209(357)296-158(106-191(347)348)221(369)317-200(137(25)331)244(392)299-157(105-190(345)346)218(366)308-169(248(396)321-91-49-65-172(321)231(379)274-110-186(339)310-195)121-410-408-117-165(227(375)295-155(102-138-55-33-32-34-56-138)220(368)313-194(128(15)16)251(399)325-95-53-68-175(325)232(380)292-151(252(400)401)73-77-180(262)333)302-203(351)135(23)276-207(355)147(80-97-402-26)278-183(336)107-272-206(354)163-115-404-405-116-164(225(373)277-134(22)202(350)282-148(81-98-403-27)214(362)293-153(100-124(7)8)216(364)300-159(104-182(264)335)247(395)326-96-54-71-178(326)250(398)324-94-52-67-174(324)233(381)297-156(103-181(263)334)217(365)285-143(211(359)305-167)62-45-87-269-253(265)266)304-212(360)144(63-46-88-270-254(267)268)289-240(388)196(130(18)29-2)314-219(367)154(101-125(9)10)298-241(389)197(131(19)30-3)316-242(390)198(132(20)31-4)315-236(384)177-70-51-93-323(177)249(397)170(122-411-409-118-166(307-229(168)377)226(374)286-145(74-78-188(341)342)205(353)271-108-184(337)279-160(112-327)222(370)303-163)309-223(371)161(113-328)280-185(338)109-273-230(378)171-64-48-90-320(171)245(393)149(61-39-44-86-259)291-243(391)199(136(24)330)318-224(372)162(114-329)301-238(386)193(127(13)14)311-234(382)173-66-47-89-319(173)187(340)111-275-204(352)139(57-35-40-82-255)287-237(385)192(126(11)12)312-235(383)176-69-50-92-322(176)246(394)150(75-79-189(343)344)290-213(361)146(72-76-179(261)332)281-201(349)133(21)260/h32-34,55-56,123-137,139-178,192-200,327-331H,28-31,35-54,57-122,255-260H2,1-27H3,(H2,261,332)(H2,262,333)(H2,263,334)(H2,264,335)(H,271,353)(H,272,354)(H,273,378)(H,274,379)(H,275,352)(H,276,355)(H,277,373)(H,278,336)(H,279,337)(H,280,338)(H,281,349)(H,282,350)(H,283,356)(H,284,363)(H,285,365)(H,286,374)(H,287,385)(H,288,387)(H,289,388)(H,290,361)(H,291,391)(H,292,380)(H,293,362)(H,294,376)(H,295,375)(H,296,357)(H,297,381)(H,298,389)(H,299,392)(H,300,364)(H,301,386)(H,302,351)(H,303,370)(H,304,360)(H,305,359)(H,306,358)(H,307,377)(H,308,366)(H,309,371)(H,310,339)(H,311,382)(H,312,383)(H,313,368)(H,314,367)(H,315,384)(H,316,390)(H,317,369)(H,318,372)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,400,401)(H4,265,266,269)(H4,267,268,270)/t129-,130+,131+,132+,133-,134-,135+,136+,137-,139-,140+,141-,142+,143+,144+,145-,146-,147+,148-,149-,150-,151+,152+,153-,154+,155+,156-,157+,158+,159-,160-,161-,162-,163+,164-,165+,166-,167+,168-,169-,170-,171-,172-,173-,174+,175+,176+,177+,178+,192+,193+,194-,195-,196+,197+,198+,199+,200+/m0/s1

Safety [820211-82-3]

GHS Pictogram: