(2S)-N-[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-3-(3H-imidazol-4-yl)-2-(4-phenylbutanoylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanamide
Molecular Formula:
C42H51N11O5
InChI: InChI=1/C42H51N11O5/c43-38(55)34(22-29-24-48-32-17-8-7-16-31(29)32)52-39(56)33(18-10-20-47-42(44)45)51-40(57)35(21-28-13-5-2-6-14-28)53-41(58)36(23-30-25-46-26-49-30)50-37(54)19-9-15-27-11-3-1-4-12-27/h1-8,11-14,16-17,24-26,33-36,48H,9-10,15,18-23H2,(H2,43,55)(H,46,49)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,44,45,47)/t33-,34-,35+,36-/m0/s1/f/h49-53H,43-45H2
InChIKey: InChIKey=CHNMWUKSZIMHIX-IAXMGKACDQ
SMILES: C1=CC=C(C=C1)CCCC(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N
Names:
(2S)-N-[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-3-(3H-imidazol-4-yl)-2-(4-phenylbutanoylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanamide
Registries:
PubChem CID 10033237
PubChem ID 15014810
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