Chemical Compound

(3S)-3-[[(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]-4-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid

CAS Registry Number 137181-56-7
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(3S)-3-[[(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]-4-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid 结构式
Primary record

(3S)-3-[[(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]-4-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic 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
25078152
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)OC(=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)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)N)O
Canonical SMILES
CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)OC(=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@@H](C)O

名称与同义词

  • Systemin
  • RefChem:932471
  • DTXSID00160097
  • DTXCID9082588
  • H2N-AVQSKPPSKRDPPKMQTD-OH
  • 137181-56-7
  • BAT-010640
  • 360F030D37
  • A1011804
  • (3S)-3-[[(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]-4-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid
  • ALA-VAL-GLN-SER-LYS-PRO-PRO-SER-LYS-ARG-ASP-PRO-PRO-LYS-MET-GLN-THR-ASP
  • (2S)-3-Carboxy-2-(L-lysyl-L-methionyl-L-glutaminyl-L-threonamido)propanoyl L-alanyl-L-valyl-L-glutaminyl-L-seryl-L-lysyl-L-prolyl-L-prolyl-L-seryl-L-lysyl-N~5~-(diaminomethylidene)-L-ornithyl-L-alpha-aspartyl-L-prolyl-L-prolinate
  • (3S)-4-(((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)pyrrolidin-2-yl)carbonyl)pyrrolidin-2-yl)formamido)-3-hydroxypropanamido)hexanamido)-5-((diaminomethylidene)amino)pentanamido)-3-carboxypropanoyl)pyrrolidin-2-yl)carbonyl)pyrrolidin-2-yl)carbonyloxy)-3-((2S,3R)-2-((2S)-4-carbamoyl-2-((2S)-2-((2S)-2,6-diaminohexanamido)-4-(methylsulfanyl)butanamido)butanamido)-3-hydroxybutanamido)-4-oxobutanoic acid
  • (3S)-4-{[(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]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]hexanamido]-5-[(diaminomethylidene)amino]pentanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]carbonyloxy}-3-[(2S,3R)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-(methylsulfanyl)butanamido]butanamido]-3-hydroxybutanamido]-4-oxobutanoic 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-