For research use only. Not for therapeutic Use.
| CAS Number | 163648-32-6 |
| Molecular Formula | C194H304N58O59S4 |
| Purity | ≥95% |
| Storage | 2-8°C |
| IUPAC Name | (3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(4R,7S,13S,16S,19R)-19-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-13-benzyl-16-(3-carbamimidamidopropyl)-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-4-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[2-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C194H304N58O59S4/c1-15-96(5)151(247-173(292)121(58-62-142(203)264)230-176(295)129(80-108-85-210-94-217-108)234-158(277)98(7)218-174(293)125(75-95(3)4)235-164(283)112(39-23-27-65-195)223-169(288)119(56-60-140(201)262)228-171(290)123(64-74-313-14)233-189(308)155(102(11)257)250-182(301)136-93-315-314-92-135(222-146(268)88-216-185(304)153(100(9)255)248-159(278)111(199)90-253)181(300)227-116(43-31-69-211-193(206)207)167(286)236-126(77-104-35-19-17-20-36-104)161(280)215-89-147(269)245-154(101(10)256)188(307)244-136)186(305)241-127(79-107-49-53-110(260)54-50-107)175(294)229-120(57-61-141(202)263)170(289)237-128(78-105-37-21-18-22-38-105)180(299)249-156(103(12)258)190(309)242-133(84-150(274)275)179(298)225-114(41-25-29-67-197)166(285)240-132(83-149(272)273)178(297)224-113(40-24-28-66-196)165(284)239-131(82-148(270)271)162(281)214-86-144(266)220-122(63-73-312-13)163(282)219-99(8)191(310)251-71-33-45-137(251)183(302)231-117(44-32-70-212-194(208)209)168(287)238-130(81-143(204)265)177(296)226-115(42-26-30-68-198)172(291)246-152(97(6)16-2)187(306)243-134(91-254)192(311)252-72-34-46-138(252)184(303)232-118(55-59-139(200)261)160(279)213-87-145(267)221-124(157(205)276)76-106-47-51-109(259)52-48-106/h17-22,35-38,47-54,85,94-103,111-138,151-156,253-260H,15-16,23-34,39-46,55-84,86-93,195-199H2,1-14H3,(H2,200,261)(H2,201,262)(H2,202,263)(H2,203,264)(H2,204,265)(H2,205,276)(H,210,217)(H,213,279)(H,214,281)(H,215,280)(H,216,304)(H,218,293)(H,219,282)(H,220,266)(H,221,267)(H,222,268)(H,223,288)(H,224,297)(H,225,298)(H,226,296)(H,227,300)(H,228,290)(H,229,294)(H,230,295)(H,231,302)(H,232,303)(H,233,308)(H,234,277)(H,235,283)(H,236,286)(H,237,289)(H,238,287)(H,239,284)(H,240,285)(H,241,305)(H,242,309)(H,243,306)(H,244,307)(H,245,269)(H,246,291)(H,247,292)(H,248,278)(H,249,299)(H,250,301)(H,270,271)(H,272,273)(H,274,275)(H4,206,207,211)(H4,208,209,212)/t96-,97-,98-,99-,100+,101+,102+,103+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,151-,152-,153-,154-,155-,156-/m0/s1 |
| InChIKey | NUPJXZFLGDYTBJ-UYMRUBGFSA-N |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]7CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N7)[C@@H](C)O)CC8=CC=CC=C8)CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)N |
| Sequence | Ser-Thr-Gly-Cys-Arg-Phe-Gly-Thr-Cys-Thr-Met-Gln-Lys-Leu-Ala-His-Gln-Ile-Tyr-Gln-Phe-Thr-Asp-Lys-Asp-Lys-Asp-Gly-Met-Ala-Pro-Arg-Asn-Lys-Ile-Ser-Pro-Gln-Gly-Tyr-NH2 |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
