(3S,6S,9S,12S,15R,20R,23R,26S,29S,32S)-6-(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-N-[(1S)-1-carbamoyl-4-guanidino-butyl]-26-(3-guanidinopropyl)-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-3,9,23-tris(3-ureidopropyl)-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide

化合物标识与属性

CAS

368874-34-4

PubChem CID

176446655

SMILES

C1C[C@H]2C(=N[C@H](C(=N[C@H](C(=N[C@@H](C(=N[C@@H](CSSC[C@@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=O)N2C1)CCCNC(=N)O)O)CCCCN)O)CCCNC(=N)O)O)CC3=CC=C(C=C3)O)O)N=C([C@H](CC4=CC5=CC=CC=C5C=C4)N=C([C@H](CCCNC(=N)N)N=C([C@H](CCCNC(=N)N)N)O)O)O)C(=N[C@@H](CCCNC(=N)N)C(=N)O)O)O)CCCNC(=N)O)O)CCCNC(=N)N)O)CC6=CC=C(C=C6)O)O

Canonical SMILES

N=C(N)NCCC[C@H](N=C(O)[C@@H]1CSSC[C@H](N=C(O)[C@H](Cc2ccc3ccccc3c2)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](CCCNC(=N)O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)O)C(=O)N2CCC[C@H]2C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@H](CCCNC(=N)O)C(O)=N1)C(=N)O