3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,39S,42S,45S,48R,51S,54S,57S,60S,63R,66S,69R,75S,78S,81S,84S,87S,90R,93S)-54,60-bis(4-aminobutyl)-3,33,87-tris[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-39-(carbamoylmethyl)-84-[(1R)-1-hydroxyethyl]-15,57,66,81-tetrakis(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-75-methyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-triacontaoxo-9,51,78-tris(propan-2-yl)-12,24,48,63,69,90-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontaazatricyclo[91.3.0.027,31]hexanonacontan-18-yl]propanoic acid

化合物标识与属性

PubChem CID

177389108

SMILES

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

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=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)CNC(=O)[C@H](CC(N)=O)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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC1=O