Chemical Compound
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(1R,4S,10S,13S,16S,22S,25R,30R,33S,36S,42S,48S,54R,57S,60S,63S,66S,75R,80R,86S,89S,92S,95S)-13,42,57,89-tetrakis(4-aminobutyl)-75-[[(2S)-2-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-66-benzyl-4,48-bis(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-16,60,63-tris(1H-indol-3-ylmethyl)-33-methyl-22-(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,41,44,47,50,53,56,59,62,65,68,71,74,81,87,90,93,96-heptacosaoxo-95-propan-2-yl-a,27,28,77,78,99-hexathia-2a,3,6,12,15,18,21,24,31,34,40,43,46,49,52,55,58,61,64,67,70,73,82,88,91,94,97-heptacosazahexacyclo[52.43.4.230,80.06,10.036,40.082,86]trihectane-25-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid
CAS Registry Number
1233152-82-3
Primary record
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(1R,4S,10S,13S,16S,22S,25R,30R,33S,36S,42S,48S,54R,57S,60S,63S,66S,75R,80R,86S,89S,92S,95S)-13,42,57,89-tetrakis(4-aminobutyl)-75-[[(2S)-2-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-66-benzyl-4,48-bis(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-16,60,63-tris(1H-indol-3-ylmethyl)-33-methyl-22-(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,41,44,47,50,53,56,59,62,65,68,71,74,81,87,90,93,96-heptacosaoxo-95-propan-2-yl-a,27,28,77,78,99-hexathia-2a,3,6,12,15,18,21,24,31,34,40,43,46,49,52,55,58,61,64,67,70,73,82,88,91,94,97-heptacosazahexacyclo[52.43.4.230,80.06,10.036,40.082,86]trihectane-25-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid
- 库存
- 6,312 克
- 纯度
- 98.3 %
- CAS
- 1233152-82-3
化合物标识与属性
- CAS
- 1233152-82-3
- PubChem CID
- 155908789
- SMILES
- C[C@@H]1C(=O)N[C@@H]2CSSC[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](NC(=O)[C@H]4CSSC[C@H](C(=O)NCC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](C(=O)N5CCC[C@@H]5C(=O)N1)CCCCN)CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)N6CCC[C@@H]6C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N4)C(C)C)CC7=CC=C(C=C7)O)CCCCN)NC2=O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](CCC(=O)O)N)CC8=CC=CC=C8)CC9=CNC1=CC=CC=C19)CC1=CNC2=CC=CC=C21)CCCCN)CO)CCCCN)CC1=CNC2=CC=CC=C21)CC(C)C)C(=O)N[C@H](CC(=O)N)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)O
- Canonical SMILES
- CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]1CSSC[C@H]2NC(=O)[C@@H](C)NC(=O)[C@H]3CCCN3C(=O)[C@@H](CCCCN)NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H]3CSSC[C@@H](NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@@H](CCCCN)NC(=O)[C@H]4CCCN4C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](N)CCC(=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)N2CCC[C@@H]2C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N[C@H](CC(C)C)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)O
名称与同义词
- Guangxitoxin 1E
- (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(1R,4S,10S,13S,16S,22S,25R,30R,33S,36S,42S,48S,54R,57S,60S,63S,66S,75R,80R,86S,89S,92S,95S)-13,42,57,89-tetrakis(4-aminobutyl)-75-[[(2S)-2-[[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-66-benzyl-4,48-bis(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-16,60,63-tris(1H-indol-3-ylmethyl)-33-methyl-22-(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,41,44,47,50,53,56,59,62,65,68,71,74,81,87,90,93,96-heptacosaoxo-95-propan-2-yl-a,27,28,77,78,99-hexathia-2a,3,6,12,15,18,21,24,31,34,40,43,46,49,52,55,58,61,64,67,70,73,82,88,91,94,97-heptacosazahexacyclo[52.43.4.230,80.06,10.036,40.082,86]trihectane-25-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid
- 1233152-82-3