((3S,6S,9R,12S,18R,23R,26S,29S,32R,35R,40R,43S,48aS)-35-amino-43-(2-amino-2-oxoethyl)-29-(2-carboxyethyl)-26-(4-hydroxybenzyl)-12-((R)-1-hydroxyethyl)-3,6-dimethyl-1,4,7,10,13,16,25,28,31,34,41,44,50-tridecaoxodotetracontahydro-1H,22H-40,23-(epiminomethano)-9,32-(methanodithiomethano)pyrrolo[2,1-v][1,2,30,31]tetrathia[5,8,11,14,17,20,23,26,35,38,41,44]dodecaazacyclohexatetracontine-18-carbonyl)-L-tyrosine

化合物标识与属性

PubChem CID

177831446

SMILES

C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N1)C)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O.C[C@H]1C(=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)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)C)CC(=O)N)CS)CS)CC3=CC=C(C=C3)O)CCC(=O)O)NC(=O)[C@H](CS)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O

Canonical SMILES

C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2.C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)NC1=O