(2S)-1-[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(5S,8S,11S,14S,17S,20S,23S)-8-(3-amino-3-oxo-propyl)-20-(3-guanidinopropyl)-5-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octazacyclohexacosane-23-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

化合物标识与属性

CAS

732286-09-8

PubChem CID

176447132

SMILES

CC[C@H](C)[C@@H](C(=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)O)N=C([C@H](C(C)C)N=C([C@H](CC(=N)O)N=C([C@H](CO)N=C([C@H](CC2=CN=CN2)N=C(CN=C([C@H](C(C)C)N=C([C@H](CC3=CNC4=CC=CC=C43)N=C([C@@H]5CCC(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N5)O)CCCNC(=N)N)O)CC6=CC=C(C=C6)O)O)C(C)C)O)CC(C)C)O)CCC(=N)O)O)CO)O)O)O)O)O)O)O)O)O)O

Canonical SMILES

CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)CN=C(O)[C@@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H]1CCC(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N1)C(C)C)C(C)C)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O