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AG0018VS

138614-30-9 | L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-, acetate (salt)

Chemical structure of L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-, acetate (salt), CAS 138614-30-9
AG0018VS
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CAS Number 138614-30-9
Catalog Number AG0018VS(AGN-PC-0PN0M9)
Chemical Name L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-, acetate (salt)
IUPAC Name (2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)-2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1
InChI Key QURWXBZNHXJZBE-MCDGZUPGSA-N
MDL Number MFCD04112967
Molecular Formula C61H93N19O15S
Molecular Weight 1364.5744
SMILES OC[C@H](NC([C@@H](NC(CNC(C6C[C@@H](O)CN6C(C7CCCN7C(C(CCC/N=C(N)/N)NC([C@H](N)CCC/N=C(N)N)=O)=O)=O)=O)=O)Cc5sccc5)=O)C(N2Cc1c(CC2C(N4[C@H]3CCCC[C@H]3CC4C(N[C@@H](CCC/N=C(N)N)C(O)=O)=O)=O)cccc1)=O.CC(O)=O
Synonyms
D-Arg(Hyp(3)-Thi(5)-D-Tic(7)-Oic(8))BK, HOE 140, HOE-140, HOE140, Hoechst 140, Hoechst-140, icatibant, icatibant acetate, JE 049, JE-049, WIN 65365, WIN-65365, Icatibant, HOE 140 Acetate, JE049, Icatibant acetate, HOE 140, HOE140, Icatibant [INN], 138614-30-9, C59H89N19O13S, 130308-48-4, AC1Q5QRX, AC1L2G0Q, D-Arg(Hyp(3)-Thi(5)-D-Tic(7)-Oic(8))BK, SCHEMBL15992443, CTK0H7019, L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl-, DB06196, LS-172762, (2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)-2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-yl-propan, L-Arginine, D-arginyl-L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-(3R)-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-(2S,3aS,7aS)-octahydro-1H-indole-2-carbonyl-, acetate (1:), Firazyr, Hoechst 140, Hoe-140, Icatibant [INN:BAN], Icatibant acetate [USAN], D04ZBT, UNII-7PG89G35Q7, UNII-325O8467XK, WIN 65365, WIN-65365, KST-1A1301, CID71364, AR-1A3141, JE 049, C59H89N19O13S.xC2H4O2, C59-H89-N19-O13-S, D-Arg-[Hyp3,Thi5,D-Tic7,Oic8]bradykinin, C59-H89-N19-O13-S.x-C2-H4-O2, (2s)-2-({[(3as,7as)-1-({2-[(2s)-2-{[(2s)-2-({[({(4r)-1-[(1-{2-({(2r)-2-amino-5-[(diaminomethylidene)amino]pentanoyl}amino)-5-[(diaminomethylidene)amino]pentanoyl}pyrrolidin-2-yl)carbonyl]-4-hydroxypyrrolidin-2-yl}carbonyl)amino]acetyl}amino)-3-(thiophen-2-yl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)octahydro-1h-indol-2-yl]carbonyl}amino)-5-[(diaminomethylidene)amino]pentanoic acid(non-preferred name), 13996-86-6, (2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)-2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid, (R)-Arginyl-(S)-arginyl-(S)-prolyl-(2S,4R)-(4-hydroxyprolyl)glycyl-(S)-(3-(2-thienyl)alanyl)-(S)-seryl-(R)-((1,2,3,4-tetrahydro-3-isoquinolyl)carbonyl)-(2S,3aS,7aS)-((hexahydro-2-indolinyl)carbonyl)-(S)-arginine acetate (salt),

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited