(4S)-4-{[(1S)-1-({2-[(2S)-2-{[(1S)-5-amino-1-[({[(1S)-3-carboxy-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)-3-carbamoylpropyl]carbamoyl}-4-{2-[(2S,5R)-6-amino-2-[(2S)-2-{2-[(2S)-2-({2-[(1S,2S)-1-(2-aminoacetamido)-2-methylbutyl]-1,3-oxazol-4-yl}formamido)propanamido]acetamido}-3-phenylpropanamido]-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanamido]acetamido}butanoic acid

化合物标识与属性

PubChem CID

102040117

SMILES

CC[C@H](C)[C@@H](C1=NC(=CO1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC[C@H](CN)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CN

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)CN)c1nc(C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC[C@H](CN)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)co1