(4S)-5-[[(1S)-5-amino-1-[(2S)-2-[[(1S)-1-[[(1S)-4-amino-1-[[(1S)-3-amino-1-[[(1S)-1-benzyl-2-[[(1S,2R)-1-[[(1S)-1-[[(1R)-2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-4-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoic acid

化合物标识与属性

CAS

198268-71-2

PubChem CID

176450418

SMILES

C[C@H]([C@@H](C(=N[C@@H](CC(C)C)C(=N[C@@H](CS)C(=N[C@@H](CC1=CC=CC=C1)C(=N[C@@H](CCCNC(=N)N)C(=N)O)O)O)O)O)N=C([C@H](CC2=CC=CC=C2)N=C([C@H](CC(=N)O)N=C([C@H](CCC(=N)O)N=C([C@H](CC(C)C)N=C([C@@H]3CCCN3C(=O)[C@H](CCCCN)N=C([C@H](CCC(=O)O)N=C([C@H](CC4=CC=C(C=C4)O)N)O)O)O)O)O)O)O)O

Canonical SMILES

CC(C)C[C@H](N=C(O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(O)=N[C@@H](CS)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=N)O