2-[[2-[[2-[[2a-amino-7,37-bis(4-aminobutyl)-69-(2-amino-2-oxoethyl)-28,99-di(butan-2-yl)-57-(3-carbamimidamidopropyl)-72,93-bis(2-carboxyethyl)-66,75-bis(carboxymethyl)-16-(1-hydroxyethyl)-10a,40-bis(hydroxymethyl)-34,43,46-tris[(4-hydroxyphenyl)methyl]-22-(1H-imidazol-4-ylmethyl)-31-(1H-indol-3-ylmethyl)-4,16a,19-tris(2-methylpropyl)-1a,2,5,8,8a,11a,14,14a,17,17a,20,20a,23,26,27a,29,32,35,38,41,44,47,56,59,65,68,71,74,77,80,86,89,92,95,98-pentatriacontaoxo-19a,87-di(propan-2-yl)-4a,5a,23a,24a,51,52-hexathia-a,3,6,9,9a,12a,15,15a,18,18a,21,21a,24,26a,27,30,33,36,39,42,45,48,55,58,64,67,70,73,76,79,85,88,91,94,97-pentatriacontazahexacyclo[76.43.4.254,107.09,13.060,64.081,85]heptacosahectane-49-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoic acid

化合物标识与属性

CAS

1600543-88-1

PubChem CID

90489025

SMILES

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC2C(=O)NC3CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N4CCCC4C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC6=CNC=N6)CC(C)C)C(C)O)CCCCN)CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC3=O)CO)CC(C)C)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N7CCCC7C(=O)NC(C(=O)N2)CCCNC(=N)N)CC(=O)O)CC(=O)N)CCC(=O)O)CC(=O)O)C(C)C)CCC(=O)O)C(C)CC)N)C(=O)NC(CC8=CC=C(C=C8)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)CC9=CC=C(C=C9)O)CC1=CC=C(C=C1)O)CO)CCCCN)CC1=CC=C(C=C1)O)CC1=CNC2=CC=CC=C21

Canonical SMILES

CCC(C)C1NC(=O)CNC(=O)C(Cc2c[nH]cn2)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C2CSSCC3NC(=O)C4CCCN4C(=O)C(C(C)C)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(C(C)CC)NC(=O)C(N)CSSCC(NC(=O)C(CSSCC(C(=O)NC(Cc4ccc(O)cc4)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(Cc4ccc(O)cc4)NC(=O)C(Cc4ccc(O)cc4)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(Cc4ccc(O)cc4)NC(=O)C(Cc4c[nH]c5ccccc45)NC1=O)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC3=O)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N2