(3S)-3-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-[[(1S)-3-carbamoyl-1-[[(1S)-1-[[(1S)-1-(carbamoylmethylcarbamoyl)-2-phenyl-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propyl]carbamoyl]propanoic acid
Molecular Formula:
C39H51N9O10
InChI: InChI=1/C39H51N9O10/c1-21(2)15-28(44-22(3)49)37(56)48-31(18-34(52)53)39(58)45-27(13-14-32(40)50)36(55)47-30(17-24-19-42-26-12-8-7-11-25(24)26)38(57)46-29(35(54)43-20-33(41)51)16-23-9-5-4-6-10-23/h4-12,19,21,27-31,42H,13-18,20H2,1-3H3,(H2,40,50)(H2,41,51)(H,43,54)(H,44,49)(H,45,58)(H,46,57)(H,47,55)(H,48,56)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1/f/h43-48,52H,40-41H2
InChIKey: InChIKey=VTQMNICJVWMKEV-SSKDUAELDS
SMILES: CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)N)NC(=O)C
Names:
(3S)-3-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-3-[[(1S)-3-carbamoyl-1-[[(1S)-1-[[(1S)-1-(carbamoylmethylcarbamoyl)-2-phenyl-ethyl]carbamoyl]-2-(1H-indol-3-yl)ethyl]carbamoyl]propyl]carbamoyl]propanoic acid
Registries:
PubChem CID 164286
PubChem ID 10255422
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