4-({4-[(9R,10S,19R,20S)-9,10,19,20-tetrahydroxy-7,12,17-tris({4-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(acetyloxy)oxane-2-amido]phenyl})-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21)-nonaen-2-yl]phenyl}carbamoyl)butanoic acid

化合物标识与属性

PubChem CID

102522743

SMILES

CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)OC(=O)C)C(=O)NC2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7[C@@H]([C@@H](C3=N7)O)O)C8=CC=C(C=C8)NC(=O)[C@@H]9[C@H]([C@@H]([C@H]([C@H](O9)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C1=CC=C(C=C1)NC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[C@H]([C@H]5O)O)C1=CC=C(C=C1)NC(=O)CCCC(=O)O)N4)OC(=O)C

Canonical SMILES

CC(=O)O[C@H]1O[C@H](C(=O)Nc2ccc(-c3c4nc(c(-c5ccc(NC(=O)[C@H]6O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)cc5)c5ccc([nH]5)c(-c5ccc(NC(=O)[C@H]6O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]6OC(C)=O)cc5)c5nc(c(-c6ccc(NC(=O)CCCC(=O)O)cc6)c6ccc3[nH]6)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O