(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S,3R)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]hexanoyl]pyrrolidin-2-yl]formamido}-3-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-methylpentanoic acid

化合物标识与属性

PubChem CID

175925087

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCNC(=N)N)NC(=O)CN)O

Canonical SMILES

CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(C)C)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O