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(2S)-2-[[(3S,6S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

Base Information Edit
  • Chemical Name:(2S)-2-[[(3S,6S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
  • CAS No.:161897-74-1
  • Molecular Formula:C41H60 N10 O9
  • Molecular Weight:
  • Hs Code.:
  • DSSTox Substance ID:DTXSID701019025
  • Mol file:161897-74-1.mol
(2S)-2-[[(3S,6S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

Synonyms:161897-74-1;DTXSID701019025

Suppliers and Price of (2S)-2-[[(3S,6S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of (2S)-2-[[(3S,6S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid Edit
Chemical Property:
  • XLogP3:1.7
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:10
  • Rotatable Bond Count:13
  • Exact Mass:836.45447353
  • Heavy Atom Count:60
  • Complexity:1480
Purity/Quality:
Safty Information:
  • Pictogram(s):  
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MSDS Files:
Useful:
  • Canonical SMILES:CC1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)N1C)CCC2=CC=C(C=C2)O)C(C)C)NC(=O)NC(CCCN=C(N)N)C(=O)O)CC3=CC=CC=C3
  • Isomeric SMILES:C[C@H]1C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N1C)CCC2=CC=C(C=C2)O)C(C)C)NC(=O)N[C@@H](CCCN=C(N)N)C(=O)O)CC3=CC=CC=C3
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