Chemical Compound

MFCD00076872

CAS Registry Number 98474-59-0
MFCD00076872 chemical structure
Primary Record

MFCD00076872

In stock
2,608 g
Purity
98.7 %
CAS
98474-59-0

Compound Identifiers & Properties

CAS
98474-59-0
PubChem CID
176445550
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=N[C@@H](CO)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CO)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CC(=N)O)C(=O)O)O)O)O)O)O)O)O)O)O)O)N=C([C@H](CO)N=C(CN=C([C@H](CC2=CC=C(C=C2)O)N)O)O)O
Canonical SMILES
CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(=O)O

Names & Synonyms

  • MFCD00076872
  • C71H113N23O28
  • (4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-3-carboxy-propanoyl]amino]-5-[[(1S)-3-amino-1-carboxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid
  • 98474-59-0