1. Primary Information
| English name: | H-Ala-Ile-Val-Val-Gly-Gly-Val-Met-Leu-Gly-Ile-Ile-Ala-Gly-Lys-Asn-Ser-Gly-Val-Asp-Glu-Ala-Phe-Phe-Val-Leu-Lys-Gln-His-His-Val-Glu-Tyr-Gly-Ser-Asp-His-Arg-Phe-Glu-Ala-Asp-OH |
| CAS No.: | 317366-82-8 |
| Molecular formula: | C203H311N55O60S |
| Molecular weight: | g/mol |
| SMILES: | CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CNC=N3)C(=O)NC(CC4=CNC=N4)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CC6=CNC=N6)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(C)N |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | BR,95% | 512 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | BR,95% | 1920 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]butanedioic acid
4.2 InChI
InChI=1S/C203H311N55O60S/c1-28-106(20)164(252-151(269)92-218-171(286)129(71-98(4)5)237-181(296)128(66-70-319-27)235-194(309)159(101(10)11)250-149(267)88-215-146(264)87-220-193(308)158(100(8)9)255-198(313)163(105(18)19)256-201(316)166(108(22)30-3)257-167(282)109(23)206)200(315)258-165(107(21)29-2)199(314)226-110(24)168(283)216-89-147(265)227-121(51-40-42-67-204)176(291)244-138(80-145(208)263)187(302)249-142(93-259)173(288)219-91-150(268)251-160(102(12)13)195(310)247-140(82-156(278)279)188(303)233-126(60-64-153(272)273)175(290)224-111(25)169(284)236-132(73-113-45-34-31-35-46-113)184(299)240-134(75-115-49-38-33-39-50-115)190(305)253-162(104(16)17)197(312)246-130(72-99(6)7)182(297)229-122(52-41-43-68-205)177(292)231-124(58-62-144(207)262)179(294)241-136(78-118-85-212-96-222-118)186(301)243-137(79-119-86-213-97-223-119)191(306)254-161(103(14)15)196(311)234-127(61-65-154(274)275)180(295)238-131(76-116-54-56-120(261)57-55-116)172(287)217-90-148(266)228-143(94-260)192(307)245-139(81-155(276)277)189(304)242-135(77-117-84-211-95-221-117)185(300)230-123(53-44-69-214-203(209)210)178(293)239-133(74-114-47-36-32-37-48-114)183(298)232-125(59-63-152(270)271)174(289)225-112(26)170(285)248-141(202(317)318)83-157(280)281/h31-39,45-50,54-57,84-86,95-112,121-143,158-166,259-261H,28-30,40-44,51-53,58-83,87-94,204-206H2,1-27H3,(H2,207,262)(H2,208,263)(H,211,221)(H,212,222)(H,213,223)(H,215,264)(H,216,283)(H,217,287)(H,218,286)(H,219,288)(H,220,308)(H,224,290)(H,225,289)(H,226,314)(H,227,265)(H,228,266)(H,229,297)(H,230,300)(H,231,292)(H,232,298)(H,233,303)(H,234,311)(H,235,309)(H,236,284)(H,237,296)(H,238,295)(H,239,293)(H,240,299)(H,241,294)(H,242,304)(H,243,301)(H,244,291)(H,245,307)(H,246,312)(H,247,310)(H,248,285)(H,249,302)(H,250,267)(H,251,268)(H,252,269)(H,253,305)(H,254,306)(H,255,313)(H,256,316)(H,257,282)(H,258,315)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,317,318)(H4,209,210,214)/t106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,158-,159-,160-,161-,162-,163-,164-,165-,166-/m0/s1
4.3 InChIKey
QBEAMNLSDYIUGM-SIQRNXPUSA-N
4.4 Canonical SMILES
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CNC=N3)C(=O)NC(CC4=CNC=N4)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CC6=CNC=N6)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CCSC)NC(=O)C(C(C)C)NC(=O)CNC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(C)N
4.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)N
