1-[2-[[1-[2-[[4-amino-4-oxo-2-[[13,42,57,89-tetrakis(4-aminobutyl)-75-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]-66-benzyl-4,48-bis(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-16,60,63-tris(1H-indol-3-ylmethyl)-33-methyl-22-(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,41,44,47,50,53,56,59,62,65,68,71,74,81,87,90,93,96-heptacosaoxo-95-propan-2-yl-a,27,28,77,78,99-hexathia-2a,3,6,12,15,18,21,24,31,34,40,43,46,49,52,55,58,61,64,67,70,73,82,88,91,94,97-heptacosazahexacyclo[52.43.4.230,80.06,10.036,40.082,86]trihectane-25-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid

化合物标识与属性

CAS

1233152-82-3

PubChem CID

121513878

SMILES

CC1C(=O)NC2CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C4CSSCC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)N1)CCCCN)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(CSSCC(C(=O)N6CCCC6C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)C(C)C)CC7=CC=C(C=C7)O)CCCCN)NC2=O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)N)CC8=CC=CC=C8)CC9=CNC1=CC=CC=C19)CC1=CNC2=CC=CC=C21)CCCCN)CO)CCCCN)CC1=CNC2=CC=CC=C21)CC(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)N1CCCC1C(=O)O

Canonical SMILES

CSCCC(NC(=O)C1CCCN1C(=O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)C1CSSCC2NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C3CSSCC(NC(=O)C(C(C)C)NC(=O)C(Cc4ccc(O)cc4)NC(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(CSSCC(NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(N)CCC(=O)O)C(=O)NCC(=O)NCC(=O)NC(Cc4ccccc4)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CCCCN)C(=O)N3)NC2=O)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1)C(=O)N1CCCC1C(=O)O