2-[(1S,7S,10S,13S,16S,22S,25S,31S,34S,37S,40S,43S,46S)-40-(4-aminobutyl)-16-benzyl-10,46-bis[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-37-[(1R)-1-hydroxyethyl]-13,34,43-tris(hydroxymethyl)-2,8,11,14,17,23,26,29,32,35,38,41,44,47-tetradecaoxo-3,9,12,15,18,24,27,30,33,36,39,42,45,48-tetradecaazatetracyclo[46.3.0.0^{3,7}.0^{18,22}]henpentacontan-25-yl]acetic acid

化合物标识与属性

PubChem CID

23731157

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)[C@@H](C)CC)CO)CCCCN)[C@@H](C)O)CO)CCCN=C(N)N)CC(=O)O)CC5=CC=CC=C5)CO

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC1=O