2-[27-amino-1a,35,41,68-tetrakis(4-aminobutyl)-23a-(3-amino-3-oxopropyl)-26a-(3-carbamimidamidopropyl)-12a-[2-[[1-[[1-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-21,24,56,59,71,80,95-heptakis(1-hydroxyethyl)-4a,74,83-tris(hydroxymethyl)-89-[(4-hydroxyphenyl)methyl]-86-(1H-imidazol-4-ylmethyl)-65-(1H-indol-3-ylmethyl)-50-methyl-38,77-bis(2-methylpropyl)-2a,5a,7a,8,10a,11,17,20,22a,23,25a,26,28a,33,36,39,42,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-pentatriacontaoxo-3,4,14a,15a,18a,19a,29,30-octathia-a,3a,6a,7,8a,10,11a,16,19,21a,22,24a,25,27a,34,37,40,43,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-pentatriacontazahexacyclo[60.44.10.86,32.49,92.012,16.043,47]octacosahectan-9a-yl]acetic acid

化合物标识与属性

CAS

404882-00-4

PubChem CID

90488962

SMILES

CC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC2CSSCC(NC(=O)C(NC(=O)C3CSSCC4C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N5CCCC5C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3)CO)CCCCN)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC6=CNC7=CC=CC=C76)CCCCN)C(C)O)CO)CC(C)C)C(C)O)CO)CC8=CNC=N8)CC9=CC=C(C=C9)O)C(=O)N4)C(C)O)C(C)O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CCCCN)CC(C)C)CCCCN)CCC(=O)N)CCCNC(=N)N)CC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N1CCCC1C(=O)NCC(=O)O)C(C)O)C(C)O

Canonical SMILES

CC(C)CC1NC(=O)C(CCCCN)NC(=O)C2CSSCC(N)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NCC(=O)N3CCCC3C(=O)NC3CSSCC4NC(=O)C(Cc5ccc(O)cc5)NC(=O)C(Cc5c[nH]cn5)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(Cc5c[nH]c6ccccc56)NC(=O)C(CSSCC(C(=O)N5CCCC5C(=O)NC(CC(C)C)C(=O)NC(Cc5ccc(O)cc5)C(=O)N5CCCC5C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CSSCC(NC3=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)N2)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(C(C)O)NC4=O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CCCCN)NC1=O