3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,36S,39S,42S,45R,48S,51S,54S,57S,60R,63S,66R,72S,75S,78S,81S,84S,87R,90S)-51,57-bis(4-aminobutyl)-3,33,72,84-tetrakis[(2S)-butan-2-yl]-39-(3-carbamimidamidopropyl)-54-(carbamoylmethyl)-15,63,81-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-36,75,78-trimethyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89-nonacosaoxo-9,48-bis(propan-2-yl)-12,24,45,60,66,87-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88-nonacosaazatricyclo[88.3.0.027,31]trinonacontan-18-yl]propanoic acid

化合物标识与属性

PubChem CID

177612705

SMILES

CC[C@H](C)[C@H]1C(=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)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)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)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)N1)C)C)CO)[C@@H](C)CC)CS)[C@@H](C)CC)CC4=CNC5=CC=CC=C54)C(C)C)CS)CO)CCC(=O)O)CS)[C@@H](C)CC)C)CCCNC(=N)N)CC6=CC=C(C=C6)O)CS)C(C)C)CCCCN)CC(=O)N)CCCCN)CS)CO)CS

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC1=O