Chemical Compound

MFCD00133153

CAS Registry Number 119911-68-1
MFCD00133153 chemical structure
Primary Record

MFCD00133153

In stock
897 g
Purity
98.6 %
CAS
119911-68-1

Compound Identifiers & Properties

CAS
119911-68-1
PubChem CID
176450932
SMILES
C[C@H]([C@@H](C(=N[C@@H](CC(=N)O)C(=N[C@@H](C(C)C)C(=NCC(=N[C@@H](CO)C(=N[C@@H](CCCCN)C(=N[C@@H](C)C(=N[C@@H](CC1=CC=CC=C1)C(=N)O)O)O)O)O)O)O)O)N=C([C@@H]2CCCN2C(=O)[C@H](C(C)C)N=C([C@H](CC3=CC=CC=C3)N=C([C@H](CC(=N)O)N=C([C@H](CC(=N)O)N=C([C@H](CCCCN)N=C([C@H](C(C)C)N=C([C@H](C(C)C)N=C(CN=C(CN=C([C@H](CO)N=C([C@H](CCCNC(=N)N)N=C([C@H](CO)N=C([C@H](CC(C)C)N=C([C@H](CC(C)C)N=C(CN=C([C@H](C)N=C([C@H](CC(C)C)N=C([C@H](CCCNC(=N)N)N=C([C@H](CC4=CN=CN4)N=C([C@H]([C@@H](C)O)N=C([C@H](C(C)C)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
Canonical SMILES
CC(C)C[C@H](N=C(O)CN=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H](N=C(O)[C@@H](N)C(C)C)[C@@H](C)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(O)=NCC(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=N)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C

Names & Synonyms

  • MFCD00133153
  • C139H230N44O38
  • (2S)-N-[(1S)-3-amino-1-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S,2R)-1-[[(1S)-3-amino-1-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoy
  • 119911-68-1