2-[(1R,4S,7S,10S,13S,16S,19S,22R,27R,30S,36S,39S,45R,48S,54S,57R,62R,65S,71S,77S,83S)-62-amino-7,30,65,71-tetrakis(4-aminobutyl)-27-carbamoyl-4,36,39-tris(3-guanidinopropyl)-10-[(1R)-1-hydroxyethyl]-48,54-bis(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-77-methyl-13-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,29,32,35,38,41,44,47,50,53,56,63,66,69,72,75,78,84,91-pentacosaoxo-24,25,59,60,87,88-hexathia-3,6,9,12,15,18,21,28,31,34,37,40,43,46,49,52,55,64,67,70,73,76,79,85,90-pentacosazatetracyclo[43.40.4.222,57.079,83]hennonacontan-19-yl]acetic acid

化合物标识与属性

CAS

147794-23-8

PubChem CID

170851297

SMILES

C[C@H]1C(=O)N2CCC[C@H]2C(=N[C@H]3CSSC[C@H]4C(=NCC(=N[C@H](C(=N[C@H](C(=NCC(=N[C@H](C(=N[C@@H](CSSC[C@@H](C(=N[C@@H](CSSC[C@@H](C(=N[C@H](C(=NCC(=N[C@H](C(=NCC(=N1)O)O)CCCCN)O)O)CCCCN)O)N)C(=N[C@H](C(=NCC(=N[C@H](C(=N4)O)CO)O)O)CO)O)O)N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C3O)CCCNC(=N)N)O)CCCCN)O)[C@@H](C)O)O)CCSC)O)CC5=CC=C(C=C5)O)O)CC(=O)O)O)C(=N)O)O)CCCCN)O)O)CCCNC(=N)N)O)CCCNC(=N)N)O)O)O

Canonical SMILES

CSCC[C@@H]1N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]2CSSC[C@@H]3N=C(O)[C@H](CO)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@H](CSSC[C@H](N)C(O)=N[C@@H](CCCCN)C(O)=NCC(O)=N[C@@H](CCCCN)C(O)=NCC(O)=N[C@@H](C)C(=O)N4CCC[C@H]4C(O)=N2)N=C(O)[C@H](CSSC[C@@H](C(=N)O)N=C(O)[C@H](CCCCN)N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C3O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](Cc2ccc(O)cc2)N=C1O