(2R,3S,4S,5R,6R)-2-(((2R,3S,4S,5S,6S)-2-((1R,2S)-2-(6-amino-2-((S)-3-amino-1-(((S)-2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidine-4-carboxamido)-3-(((2R,3S,4S)-5-(((2S,3R)-1-((2-(4-(((22S,25S,28S)-30-(2-amino-2-oxoethyl)-21,22,24,25,27,28,35-heptamethyl-18-(2-(N-methyl-4-(3-(5-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenoxy)butanamido)ethyl)-39-(3-(5-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bibenzo[d]imidazol]-2'-yl)phenoxy)-10,17,20,23,26,29,36-heptaoxo-4,9,11,18,21,24,27,30,35-nonaazanonatriacontyl)carbamoyl)-[2,4'-bithiazol]-2'-yl)ethyl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-3-hydroxy-4-methyl-5-oxopentan-2-yl)amino)-1-(1H-imidazol-5-yl)-3-oxopropoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate

化合物标识与属性

PubChem CID

122238817

SMILES

CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCNC(=O)NCCCCCC(=O)N(CCN(C)C(=O)CCCOC7=CC=CC(=C7)C8=NC9=C(N8)C=C(C=C9)C1=NC2=C(N1)C=CC(=C2)N1CCN(CC1)C)CC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(CCCCN(C)C(=O)CCCOC1=CC=CC(=C1)C1=NC2=C(N1)C=C(C=C2)C1=NC2=C(N1)C=CC(=C2)N1CCN(CC1)C)CC(=O)N)O

Canonical SMILES

Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCNC(=O)NCCCCCC(=O)N(CCN(C)C(=O)CCCOc3cccc(-c4nc5ccc(-c6nc7cc(N8CCN(C)CC8)ccc7[nH]6)cc5[nH]4)c3)CC(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(CCCCN(C)C(=O)CCCOc3cccc(-c4nc5ccc(-c6nc7cc(N8CCN(C)CC8)ccc7[nH]6)cc5[nH]4)c3)CC(N)=O)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1