Chemical Compound

(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid

CAS Registry Number 137181-56-7
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(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid 结构式
Primary record

(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid

库存
5,304 克
纯度
99.2 %
CAS
137181-56-7

化合物标识与属性

CAS
137181-56-7
PubChem CID
101945877
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N)O
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O

名称与同义词

  • Systemin
  • orb1679492
  • UNII-360F030D37
  • SCHEMBL29350540
  • C85H144N26O28S
  • 137181-56-7
  • C85-H144-N26-O28-S
  • J958.743H
  • 360F030D37
  • L-Alanyl-L-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-arginyl-L-alpha-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-threonyl-L-aspartic acid
  • (2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-6-AMINO-2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-AMINO-2-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-6-AMINO-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINOPROPANAMIDO]-3-METHYLBUTANAMIDO]-4-CARBAMOYLBUTANAMIDO]-3-HYDROXYPROPANAMIDO]HEXANOYL]PYRROLIDINE-2-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-HYDROXYPROPANAMIDO]HEXANAMIDO]-5-CARBAMIMIDAMIDOPENTANAMIDO]-3-CARBOXYPROPANOYL]PYRROLIDINE-2-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}HEXANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]-4-CARBAMOYLBUTANAMIDO]-3-HYDROXYBUTANAMIDO]BUTANEDIOIC ACID
  • (2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
  • (S)-2-((3S,6S,9S,12S)-9-(3-Amino-3-oxopropyl)-1-((S)-1-((S)-1-((3S,6S,9S,12S)-1-((S)-1-((S)-1-((2S,5S,8S,11S,14S)-14-amino-8-(3-amino-3-oxopropyl)-2-(4-aminobutyl)-5-(hydroxymethyl)-11-isopropyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oyl)pyrrolidine-2-carbonyl)pyrrolidin-2-yl)-6-(4-aminobutyl)-12-(carboxymethyl)-9-(3-guanidinopropyl)-3-(hydroxymethyl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecan-13-oyl)pyrrolidine-2-carbonyl)pyrrolidin-2-yl)-3-(4-aminobutyl)-12-((R)-1-hydroxyethyl)-6-(2-(methylthio)ethyl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecanamido)succinic acid
  • L-Aspartic acid, L-alanyl-L-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-arginyl-L-alpha-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-threonyl-
  • L-Aspartic acid,L-alanyl-L-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-L-seryl-L-lysyl-L-arginyl-L-a-aspartyl-L-prolyl-L-prolyl-L-lysyl-L-methionyl-L-glutaminyl-L-threonyl-