(1S,4S,13S,16S,19S,22S,25S,28R,31S,37S,40S,41S,44R,47S,50S,53S,56R,65S,70S)-44-amino-4,22-dibenzyl-47-(3-carbamimidamidopropyl)-31-((R)-carboxy(hydroxy)methyl)-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-heptadecahydroxy-37-(2-hydroxy-2-iminoethyl)-50-(3-hydroxy-3-iminopropyl)-41,70-dimethyl-16-(2-methylpropyl)-8-oxo-25-propan-2-yl-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo(38.18.9.319,56.328,53.09,13)triheptaconta-2,5,14,17,20,23,26,29,32,35,38,45,48,51,54,57,66-heptadecaene-65-carboxylic acid

化合物标识与属性

CAS

132246-31-2

PubChem CID

101611010

SMILES

C[C@H]1[C@@H]2C(=N[C@H](C(=N[C@H](C(=N[C@H]3CSC[C@@H]4C(=N[C@@H](CS1)C(=N[C@@H](CNCCCC[C@H](N=C([C@@H]([C@@H](SC[C@@H](C(=N[C@H](C(=N[C@H](C(=N4)O)CCC(=N)O)O)CCCNC(=N)N)O)N)C)N=C([C@@H](N=C(CN=C([C@@H](N=C3O)[C@H](C(=O)O)O)O)O)CC(=N)O)O)O)C(=O)O)C(=N[C@H](C(=NCC(=O)N5CCC[C@H]5C(=N[C@H](C(=N2)O)CC(C)C)O)O)CC6=CC=CC=C6)O)O)O)O)C(C)C)O)CC7=CC=CC=C7)O

Canonical SMILES

CC(C)C[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](Cc2ccccc2)N=C(O)[C@@H]2CNCCCC[C@@H](C(=O)O)N=C(O)[C@@H]3N=C(O)[C@H](CC(=N)O)N=C(O)CN=C(O)[C@H]([C@@H](O)C(=O)O)N=C(O)[C@@H]4CSC[C@@H](N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CS[C@H]3C)C(O)=N[C@@H](CS[C@@H](C)[C@@H](N=C1O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](C(C)C)C(O)=N4)C(O)=N2