3-[(1-carbamoyl-2-phenyl-ethyl)carbamoyl]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Molecular Formula: C37H49N7O9S


InChI: InChI=1/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/f/h39,41-44,46H,38H2

InChIKey: InChIKey=NEYNJQRKHLUJRU-QCLDAOJJCP
SMILES: CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N

Names:
    3-[(1-carbamoyl-2-phenyl-ethyl)carbamoyl]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid

Registries:
    PubChem CID 4734
    PubChem ID 8152905