tert-butyl (2S)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]indazol-6-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]indazol-6-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]indazole-6-carbonyl]amino]propanoate CAS Name: (2S)-3-[[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-6-indazolyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[[1-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]indazole-6-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[[1-[3-(2-imidazolin-2-ylamino)propyl]indazole-6-carbonyl]amino]propionic acid tert-butyl ester Formula: C29H37N7O5 MolecularWeight: 563.64798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC2=C(C=C1)C=NN2CCCNC3=NCCN3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CNC(=O)C1=CC2=C(C=C1)C=NN2CCCNC3=NCCN3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H37N7O5/c1-29(2,3)41-26(38)23(35-28(39)40-19-20-8-5-4-6-9-20)18-33-25(37)21-10-11-22-17-34-36(24(22)16-21)15-7-12-30-27-31-13-14-32-27/h4-6,8-11,16-17,23H,7,12-15,18-19H2,1-3H3,(H,33,37)(H,35,39)(H2,30,31,32)/t23-/m0/s1