(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,40S,43S,46S,49S,52S,55S,58S,61S,64S,67S,70S,73S,76S,79R,82S,85S,88S,91S,94S,97S,100R,103S,106R)-106-amino-7,34,73,91-tetrakis(4-aminobutyl)-22,70-bis(2-amino-2-oxo-ethyl)-25,43,88-tribenzyl-13,61,82,94,97,103-hexakis(carboxymethyl)-10,58-bis[(1R)-1-hydroxyethyl]-49,52,67-tris(hydroxymethyl)-28,46,85-tris[(4-hydroxyphenyl)methyl]-19,76-diisobutyl-40-isopropyl-64-methyl-16,55-bis[(1S)-1-methylpropyl]-31-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105-tetratriacontaoxo-79,100-bis(sulfanylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-tetratriacontazacycloheptahectane-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]am

化合物标识与属性

PubChem CID

16130692

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](CSSC[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)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)N1)CC(C)C)CC(=O)N)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)CCSC)CCCCN)C(C)C)CC4=CC=CC=C4)CC5=CC=C(C=C5)O)CO)CO)[C@@H](C)CC)[C@@H](C)O)CC(=O)O)C)CO)CC(=O)N)CCCCN)CC(C)C)CS)CC(=O)O)CC6=CC=C(C=C6)O)CC7=CC=CC=C7)CCCCN)CC(=O)O)CC(=O)O)CS)CC(=O)O)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCN)[C@@H](C)O)CC(=O)O

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O