Chemical Compound

MFCD00671420

CAS Registry Number 158584-09-9
MFCD00671420 chemical structure
Primary Record

MFCD00671420

In stock
6,639 g
Purity
99.5 %
CAS
158584-09-9

Compound Identifiers & Properties

CAS
158584-09-9
PubChem CID
176451072
SMILES
CCC[C@@H](C(=N[C@@H](CC1=CNC2=CC=CC=C21)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=N)O)O)O)O)N=C([C@H](CCC(=O)O)N=C([C@H](C(C)C)N=C([C@@H]4CCCN4C(=O)[C@H](CCCCN)N=C([C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)N=C(CC6=CC(=O)OC7=C6C=CC(=C7)OC)O)O)O)O)O
Canonical SMILES
CCC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O

Names & Synonyms

  • MFCD00671420
  • C78H110N22O20
  • (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-guanidino-2-[[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-carbamoyl-5-(2,4-dinitroanilino)pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]butyl]amino]-5-oxo-pentanoic acid
  • 158584-09-9