(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-N-[(1S)-4-amino-1-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[2-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]pentanediamide

化合物标识与属性

CAS

138579-66-5

PubChem CID

101616958

SMILES

C[C@H]([C@@H](C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(=N)O)C(=N[C@@H](CO)C(=N[C@@H](C)C(=NCC(=N[C@@H](CC1=CC=C(C=C1)O)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(C)C)C(=NCC(=O)N2CCC[C@H]2C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CC3=CC=CC=C3)C(=N[C@@H](CC4=CC=CC=C4)C(=NCC(=N[C@@H](CC(C)C)C(=N[C@@H](CCSC)C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C([C@H](CC5=CNC6=CC=CC=C65)N=C(CN)O)O)O

Canonical SMILES

CSCC[C@H](N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CN=C(O)[C@H](C)N=C(O)[C@H](CO)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN)[C@@H](C)O)C(=N)O