2-[[4-[2-acetamido-2-[4-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]butylcarbamoyl]ethyl]-2-ethyl-phenyl]-oxalo-amino]benzoic acid

Molecular Formula: C32H40N4O10S


InChI: InChI=1/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/f/h33-35,41,43,45H

InChIKey: InChIKey=JYWLVKREVMTEJA-LIRQZNAZCP
SMILES: CCC1=C(C=CC(=C1)CC(C(=O)NCCCCC(=O)NC(CCSC)C(=O)O)NC(=O)C)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O

Names:
    2-[[4-[2-acetamido-2-[4-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]butylcarbamoyl]ethyl]-2-ethyl-phenyl]-oxalo-amino]benzoic acid

Registries:
    PubChem CID 4470789
    PubChem ID 10190463