(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-{[(3S,6S,9S,12S,15S,18S,21R,26R,29S,32S,37aS)-6-[(2S)-butan-2-yl]-3,12-bis(3-carbamimidamidopropyl)-32-(carbamoylmethyl)-9,29-bis(carboxymethyl)-18-[(4-hydroxyphenyl)methyl]-15-[(1H-indol-3-yl)methyl]-26-[(2S)-4-methyl-2-[(2S)-2-[4-(naphthalene-2-sulfonamido)-3-oxobutanamido]propanamido]pentanamido]-1,4,7,10,13,16,19,27,30,33-decaoxo-tetratriacontahydro-1H-pyrrolo[2,1-y]1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-21-yl]formamido}-4-carbamoylbutanamido]-3-phenylpropanamido]-3-methylbutanamido]-4-[(carbamoylmethyl)carbamoyl]butanoic acid

化合物标识与属性

PubChem CID

177619422

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)N)CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N)CC6=CC=C(C=C6)O)CC7=CNC8=CC=CC=C87)CCCNC(=N)N)CC(=O)O

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(N)=O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC1=O