(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[2-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid

化合物标识与属性

CAS

581-05-5

PubChem CID

101831436

SMILES

CC(C)[C@@H](C(=N)O)N=C([C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(CN=C([C@H](CC2=CNC3=CC=CC=C32)N=C([C@H](CCCNC(=N)N)N=C([C@H](CC4=CC=CC=C4)N=C([C@H](CC5=CN=CN5)N=C([C@H](CCC(=O)O)N=C([C@H](CCSC)N=C([C@H](CO)N=C([C@H](CC6=CC=C(C=C6)O)N=C([C@H](CO)N=C(C)O)O)O)O)O)O)O)O)O)O)O)O

Canonical SMILES

CSCC[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(C)O)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=NCC(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@H](C(=N)O)C(C)C