(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-2-{[(2R,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]sulfanyl}-1-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

化合物标识与属性

PubChem CID

101487271

SMILES

C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@@H]([C@H]3O)SC[C@H](C4=CNC5=CC=CC=C54)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N)C)O)C)O)O)O)O)O

Canonical SMILES

CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CS[C@H]1O[C@H](C)[C@@H](O)[C@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)c1c[nH]c2ccccc12