(2S)-2-[[(2S)-2-[[(4R,7S,13S,16S,19S,22S,28R)-13,22-bis(2-carboxyethyl)-7,19-bis(3-guanidinopropyl)-16-[(1R)-1-hydroxyethyl]-28-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

化合物标识与属性

PubChem CID

25078082

SMILES

C[C@H]([C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)O)CCCN=C(N)N)CCC(=O)O)O

Canonical SMILES

CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O