(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(3S,6S,9S,12S,18S,21S,24R,29R,32S)-24-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3,12-bis(3-guanidinopropyl)-6-[(4-hydroxyphenyl)methyl]-18-isobutyl-9-isopropyl-21-(2-methylsulfanylethyl)-2,5,8,11,14,17,20,23,31-nonaoxo-26,27-dithia-1,4,7,10,13,16,19,22,30-nonazabicyclo[30.3.0]pentatriacontane-29-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-butanoic acid

化合物标识与属性

CAS

128315-56-0

PubChem CID

176450929

SMILES

CC(C)C[C@H]1C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=O)N2CCC[C@H]2C(=N[C@@H](CSSC[C@@H](C(=N[C@H](C(=N1)O)CCSC)O)N=C([C@H](CCCNC(=N)N)N=C([C@H](CC(C)C)N=C([C@H](CCSC)N=C([C@H](CC(=O)O)N=C([C@H](CC3=CC=CC=C3)N=C([C@H](CC(=O)O)N)O)O)O)O)O)O)C(=N[C@@H](CC4=CNC5=CC=CC=C54)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](C(C)C)C(=O)O)O)O)O)O)CCCNC(=N)N)O)CC6=CC=C(C=C6)O)O)C(C)C)O)CCCNC(=N)N)O)O

Canonical SMILES

CSCC[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCSC)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(O)=N[C@@H](Cc2c[nH]c3ccccc23)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(=O)O)C(C)C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](CC(C)C)N=C1O