Chemical Compound

(2S)-1-[(2S)-2-[(2S)-2-[({[(2R,3S,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,5R)-3-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-4-methylpentanamido]acetamido}-3-hydroxybutanamido]-3-hydroxypropanamido]hexanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]oxy}-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-[(2S)-2-[({[(2R,3S,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,5R)-3-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-4-methylpentanamido]acetamido}-3-hydroxybutanamido]-3-hydroxypropanamido]hexanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]oxy}-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid 结构式
Primary record

(2S)-1-[(2S)-2-[(2S)-2-[({[(2R,3S,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,5R)-3-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-4-methylpentanamido]acetamido}-3-hydroxybutanamido]-3-hydroxypropanamido]hexanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]oxy}-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177562496
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O[C@H]2C[C@@H](O[C@@H]2COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=NC7=C6N=C(NC7=O)N)COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N9CCC[C@H]9C(=O)O)O)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N
Canonical SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1COP(=O)(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

名称与同义词

  • J1.789.670I
  • (2S)-1-[(2S)-2-[(2S)-2-[({[(2R,3S,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,4R,5R)-3-[({[(2R,3S,5R)-3-{[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-4-methylpentanamido]acetamido}-3-hydroxybutanamido]-3-hydroxypropanamido]hexanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoyl]oxy}-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]-4-methylpentanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
  • N-[3 -O-[3 -O-[3 -O-[3 -O-(L-Ile-L-Ala-L-Leu-Gly-L-Thr-L-Ser-L-Lys-L-Leu-L-Asn-L-Tyr-)-2 -Deoxy-5 -adenylyl]-5 -cytidylyl]-5 -guanylyl]-5 -thymidylyl]-L-Leu-L-Asp-L-Pro-OH