(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-52-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-28-[(1S)-1-methylpropyl]-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid

化合物标识与属性

CAS

127869-51-6

PubChem CID

176451083

SMILES

CC[C@H](C)[C@H]1C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=NCC(=N[C@H](C(=NCC(=N[C@@H](CSSC[C@@H](C(=N[C@H](C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N1)O)CCCNC(=N)N)O)CC(=O)O)O)CC(C)C)O)CCCCN)O)CC(C)C)O)O)CC2=CC=CC=C2)O)N=C(CN=C([C@H](CCCCN)N=C([C@H](CO)N=C([C@H](CC(C)C)N=C(CN)O)O)O)O)O)C(=O)O)O)O)CC(C)C)O)O)CO)O)CCSC)O)CO)O)O

Canonical SMILES

CC[C@H](C)[C@@H]1N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](Cc2ccccc2)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CC(C)C)N=C(O)CN)CSSC[C@@H](C(=O)O)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@H](CCSC)N=C(O)[C@H](CO)N=C(O)CN=C1O