tert-butyl (2S)-2-azanyl-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazol-5-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-azanyl-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazol-5-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-amino-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoate CAS Name: (2S)-2-amino-3-[[[1-[3-(1H-imidazol-2-ylamino)propyl]-5-indazolyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-amino-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoate Traditional Name: (2S)-2-amino-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C21H29N7O3 MolecularWeight: 427.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC2=C(C=C1)N(N=C2)CCCNC3=NC=CN3)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CNC(=O)C1=CC2=C(C=C1)N(N=C2)CCCNC3=NC=CN3)N

InChI

InChI=1S/C21H29N7O3/c1-21(2,3)31-19(30)16(22)13-26-18(29)14-5-6-17-15(11-14)12-27-28(17)10-4-7-23-20-24-8-9-25-20/h5-6,8-9,11-12,16H,4,7,10,13,22H2,1-3H3,(H,26,29)(H2,23,24,25)/t16-/m0/s1