(2S)-N-[(1S)-1-{[(1S)-1-{[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-29-(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-6,26-bis(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-17-yl]carbamoyl}-2-(naphthalen-2-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]-5-carbamimidamido-2-acetamidopentanamide

化合物标识与属性

PubChem CID

177499424

SMILES

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H]3CSSCC(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC3=O)CC5=CC=C(C=C5)O)CCCNC(=O)N)CCCNC(=N)N)CCCCN)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N

Canonical SMILES

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSCC(C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)C(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O