Chemical Compound

C71H94N20O17S2

CAS Registry Number 207678-81-7
C71H94N20O17S2 chemical structure
Primary Record

C71H94N20O17S2

In stock
2,640 g
Purity
98.3 %
CAS
207678-81-7

Compound Identifiers & Properties

CAS
207678-81-7
PubChem CID
176450660
SMILES
CC(=N[C@H]1CSSC[C@H](N=C(CN=C([C@@H](N=C([C@@H](N=C([C@H](N=C([C@@H](N=C([C@@H](N=C1O)CCC(=O)O)O)CC2=CN=CN2)O)CC3=CC4=CC=CC=C4C=C3)O)CCCNC(=N)N)O)CC5=CNC6=CC=CC=C65)O)O)C(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=N[C@@H](CCCCN)C(=N[C@@H](CC(=O)O)C(=N)O)O)O)O
Canonical SMILES
CC(O)=N[C@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(=N)O)N=C(O)CN=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](Cc2ccc3ccccc3c2)N=C(O)[C@H](Cc2cnc[nH]2)N=C(O)[C@H](CCC(=O)O)N=C1O

Names & Synonyms

  • C71H94N20O17S2
  • MFCD12912469
  • (3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-1-[(4R,10S,13S,16R,19S,22S,25R)-25-acetamido-22-(2-carboxyethyl)-13-(3-guanidinopropyl)-19-(1H-imidazol-4-ylmethyl)-10-(1H-indol-3-ylmethyl)-16-(2-naphthylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-6-amino-hexanoyl]amino]-4-amino-4-oxo-butanoic acid
  • 207678-81-7