(S)-2-(3-Chloro-4-hydroxyphenyl)-N-(N2-((2Z,4Z)-2,4-octadienoyl)-(S)-asparaginyl-(2S,3S)-3-hydroxyasparaginyl-(R)-2-(p-hydroxyphenyl)glycyl-(R)-ornithyl-(2R,3R)-allothreonyl-2-(p-hydroxyphenyl)glycyl-2-(p-hydroxyphenyl)glycyl-(2S,3S)-allothreonyl-(S)-phenylalanyl-(R)-ornithyl-(S)-2-(p-(alpha-D-mannopyranosyloxy)phenyl)glycyl-(2R,3R)-allothreonyl-(S)-2-(p-hydroxyphenyl)glycylglycyl-(S)-leucyl-(R)-alanyl)glycine psi1-lactone

化合物标识与属性

CAS

124884-28-2

PubChem CID

76970782

SMILES

CCC/C=C/C=C\C(=O)N[C@@H](CC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)C2=CC=C(C=C2)O)CCCN)[C@@H](C)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)[C@H](C)O)CC5=CC=CC=C5)CCCN)C6=CC=C(C=C6)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)[C@@H](C)O)C8=CC=C(C=C8)O)CC(C)C)C)C9=CC(=C(C=C9)O)Cl)C(=O)N

Canonical SMILES

CCC/C=C/C=C\C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCCN)C(=O)N[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)C(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](c2ccc(O)c(Cl)c2)C(=O)O[C@@H]1C(N)=O