N~2~-{(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-49-Benzyl-28,37-di[(2S)-butan-2-yl]-31,40,43-tris[3-(carbamimidoylamino)propyl]-34-(carboxymethyl)-16,22-bis(hydroxymethyl)-52-[(L-methionyl-L-methionyl-L-arginyl-L-alpha-aspartyl-L-serylglycyl)amino]-19-(2-methylpropyl)-10-[2-(methylsulfanyl)ethyl]-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-hexadecaazacyclotripentacontane-4-carbonyl}-L-asparaginylglycyl-L-seryl-L-arginyl-L-lysyl-L-asparagine

化合物标识与属性

CAS

118691-45-5

PubChem CID

177839303

SMILES

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

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CO)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CC(=O)O)NC1=O