3-[(1R,4S,7S,13S,16S,19S,22S,25S,28S,31S,34S,37S,40R,47R,50S)-50-amino-40-[[(1S)-4-amino-1-[[(1S)-4-amino-1-[[(1S)-2-amino-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-4-(4-aminobutyl)-47-(2-amino-2-oxo-ethyl)-34,37-bis(3-guanidinopropyl)-19-[(1R)-1-hydroxyethyl]-25-isobutyl-7,22,31-trimethyl-2,5,8,14,17,20,23,26,29,32,35,38,46,49-tetradecaoxo-42,43,52,53-tetrathia-3,6,9,15,18,21,24,27,30,33,36,39,45,48-tetradecazatricyclo[26.16.10.09,13]tetrapentacontan-16-yl]propanoic acid;2,2,2-trifluoroacetic acid

化合物标识与属性

CAS

24345-16-2

PubChem CID

176450400

SMILES

C[C@H]1C(=N[C@H](C(=N[C@H](C(=N[C@@H](CSSC[C@H]2C(=N[C@H](C(=N[C@H](C(=O)N3CCC[C@H]3C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](CSSC[C@H](C(=N[C@@H](C(=N2)O)CC(=N)O)O)N)C(=N1)O)O)CC(C)C)O)C)O)[C@@H](C)O)O)CCC(=O)O)O)C)O)CCCCN)O)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC4=CN=CN4)C(=N)O)O)O)O)O)CCCNC(=N)N)O)CCCNC(=N)N)O.C(=O)(C(F)(F)F)O

Canonical SMILES

CC(C)C[C@@H]1N=C(O)[C@H](C)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]2CCCN2C(=O)[C@H](C)N=C(O)[C@H](CCCCN)N=C(O)[C@@H]2CSSC[C@@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc3cnc[nH]3)C(=N)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C)N=C(O)[C@@H](CSSC[C@@H](N)C(O)=N[C@H](CC(=N)O)C(O)=N2)N=C1O.O=C(O)C(F)(F)F