N-[(1S)-2-(4-bromophenyl)-1-[[(1S)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxo-propan-2-yl]carbamoyl]-2-naphthalen-1-yl-ethyl]carbamoyl]ethyl]-5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0]oct-2-yl)pentanamide
Molecular Formula:
C43H45BrN6O5S
InChI: InChI=1/C43H45BrN6O5S/c44-30-18-16-26(17-19-30)20-35(47-39(52)15-6-5-14-38-40-37(25-56-38)49-43(55)50-40)42(54)48-36(22-28-10-7-9-27-8-1-2-11-32(27)28)41(53)46-31(24-51)21-29-23-45-34-13-4-3-12-33(29)34/h1-4,7-13,16-19,23-24,31,35-38,40,45H,5-6,14-15,20-22,25H2,(H,46,53)(H,47,52)(H,48,54)(H2,49,50,55)/t31-,35-,36-,37?,38u,40?/m0/s1/f/h46-50H
InChIKey: InChIKey=XQYWBXATPGQVQL-KILSCMACDC
SMILES: C1C2C(C(S1)CCCCC(=O)NC(CC3=CC=C(C=C3)Br)C(=O)NC(CC4=CC=CC5=CC=CC=C54)C(=O)NC(CC6=CNC7=CC=CC=C76)C=O)NC(=O)N2
Names:
N-[(1S)-2-(4-bromophenyl)-1-[[(1S)-1-[[(2S)-1-(1H-indol-3-yl)-3-oxo-propan-2-yl]carbamoyl]-2-naphthalen-1-yl-ethyl]carbamoyl]ethyl]-5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0]oct-2-yl)pentanamide
Registries:
PubChem CID 9918982
PubChem ID 14889439
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