3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,36S,39S,42S,45S,48R,51S,54S,57S,60S,63R,66S,69R,72S,75S,78S,81S,84S,87S,90R,93S)-36,54,66-tris(4-aminobutyl)-75-benzyl-3,33-bis[(2S)-butan-2-yl]-57,72-bis(carbamoylmethyl)-18-(2-carboxyethyl)-39,81-bis(carboxymethyl)-84-[(1R)-1-hydroxyethyl]-15-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-42-[(1H-imidazol-4-yl)methyl]-6-[(1H-indol-3-yl)methyl]-87-(2-methylpropyl)-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-60-yl]propanoic acid

化合物标识与属性

PubChem CID

177467227

SMILES

CC[C@H](C)[C@H]1C(=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)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)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC(=O)O)CC4=CNC=N4)CC5=CC=C(C=C5)O)CS)C(C)C)CCCCN)CC(=O)N)CCC(=O)O)CS)CCCCN)CS)CC(=O)N)CC6=CC=CC=C6)C(C)C)CC(=O)O)[C@@H](C)O)CC(C)C)CS)[C@@H](C)CC)CC7=CNC8=CC=CC=C87)C(C)C)CS)CO)CCC(=O)O)CS

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]cn2)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](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)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]2CCCN2C1=O