Chemical Compound
(2S)-1-[(2S)-2-[[(2S)-4-Carboxy-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(1R,7S,13S,19S,25S,28R,33R,36S,42S,45S,48S,51S,54R,57S,60S,66S,69R,74R,83S,86S,89S,92S)-13,48,66,92-tetrakis(4-aminobutyl)-74-[[(2S)-2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-83-benzyl-7-(3-carbamimidamidopropyl)-45-[(1R)-1-hydroxyethyl]-51-(hydroxymethyl)-60-[(4-hydroxyphenyl)methyl]-36,42,86,89-tetrakis(1H-indol-3-ylmethyl)-57-methyl-a,2,5,8,11,14,20,26,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,90,93-heptacosaoxo-30,31,71,72,96,97-hexathia-3,6,9,12,15,21,27,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,91,94,99-heptacosazapentacyclo[52.40.4.228,69.015,19.021,25]hectane-33-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CAS Registry Number
925463-91-8
Primary record
(2S)-1-[(2S)-2-[[(2S)-4-Carboxy-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(1R,7S,13S,19S,25S,28R,33R,36S,42S,45S,48S,51S,54R,57S,60S,66S,69R,74R,83S,86S,89S,92S)-13,48,66,92-tetrakis(4-aminobutyl)-74-[[(2S)-2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-83-benzyl-7-(3-carbamimidamidopropyl)-45-[(1R)-1-hydroxyethyl]-51-(hydroxymethyl)-60-[(4-hydroxyphenyl)methyl]-36,42,86,89-tetrakis(1H-indol-3-ylmethyl)-57-methyl-a,2,5,8,11,14,20,26,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,90,93-heptacosaoxo-30,31,71,72,96,97-hexathia-3,6,9,12,15,21,27,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,91,94,99-heptacosazapentacyclo[52.40.4.228,69.015,19.021,25]hectane-33-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
- 库存
- 1,704 克
- 纯度
- 99.2 %
- CAS
- 925463-91-8
化合物标识与属性
- CAS
- 925463-91-8
- PubChem CID
- 146018897
- SMILES
- C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CCCCN)[C@@H](C)O)CC6=CNC7=CC=CC=C76)CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CCCCN)CC2=CNC3=CC=CC=C32)CC2=CNC3=CC=CC=C32)CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC1=CC=C(C=C1)O)CCCCN)CCCCN)CCCNC(=N)N
- Canonical SMILES
- CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCCN)C(=O)N3)NC2=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
名称与同义词
- Jingzhaotoxin III
- (2S)-1-[(2S)-2-[[(2S)-4-Carboxy-2-[[(2S)-3-methyl-2-[[(2S)-2-[[(1R,7S,13S,19S,25S,28R,33R,36S,42S,45S,48S,51S,54R,57S,60S,66S,69R,74R,83S,86S,89S,92S)-13,48,66,92-tetrakis(4-aminobutyl)-74-[[(2S)-2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-83-benzyl-7-(3-carbamimidamidopropyl)-45-[(1R)-1-hydroxyethyl]-51-(hydroxymethyl)-60-[(4-hydroxyphenyl)methyl]-36,42,86,89-tetrakis(1H-indol-3-ylmethyl)-57-methyl-a,2,5,8,11,14,20,26,35,38,41,44,47,50,53,56,59,62,65,68,75,78,81,84,87,90,93-heptacosaoxo-30,31,71,72,96,97-hexathia-3,6,9,12,15,21,27,34,37,40,43,46,49,52,55,58,61,64,67,76,79,82,85,88,91,94,99-heptacosazapentacyclo[52.40.4.228,69.015,19.021,25]hectane-33-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
- 925463-91-8
- H-Asp-Gly-Glu-Cys(1)-Gly-Gly-Phe-Trp-Trp-Lys-Cys(2)-Gly-Arg-Gly-Lys-Pro-Pro-Cys(3)-Cys(1)-Lys-Gly-Tyr-Ala-Cys(2)-Ser-Lys-Thr-Trp-Gly-Trp-Cys(3)-Ala-Val-Glu-Ala-Pro-OH