(3S,4R,5R,6R)-N-[2-(3-{2-[3-(3-{20-[2-({2-[bis({2-[2-({2-[(3S,4R,5R,6R)-3,4,6,7-tetrahydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptanamido]ethyl}carbamoyl)ethoxy]ethyl})carbamoyl]ethyl}carbamoyl)ethyl]-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl}propanamido)-N-{2-[2-({2-[(3S,4R,5R,6R)-3,4,6,7-tetrahydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptanamido]ethyl}carbamoyl)ethoxy]ethyl}propanamido]ethoxy}propanamido)ethyl]-3,4,6,7-tetrahydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptanamide

化合物标识与属性

PubChem CID

101853823

SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)NCCC(=O)N(CCOCCC(=O)NCCNC(=O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)CCOCCC(=O)NCCNC(=O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)C)C(=C3C)CCC(=O)NCCC(=O)N(CCOCCC(=O)NCCNC(=O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CCOCCC(=O)NCCNC(=O)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)C=C

Canonical SMILES

C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)NCCC(=O)N(CCOCCC(=O)NCCNC(=O)C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)CCOCCC(=O)NCCNC(=O)C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)C(CCC(=O)NCCC(=O)N(CCOCCC(=O)NCCNC(=O)C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)CCOCCC(=O)NCCNC(=O)C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)=C4C)c(C)c3C=C