tert-butyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazol-5-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazol-5-yl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[[1-[3-(1H-imidazol-2-ylamino)propyl]-5-indazolyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C31H41N7O5S MolecularWeight: 623.76614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCCNC4=NC=CN4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCCNC4=NC=CN4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H41N7O5S/c1-30(2,3)23-9-11-24(12-10-23)44(41,42)37-25(28(40)43-31(4,5)6)20-35-27(39)21-8-13-26-22(18-21)19-36-38(26)17-7-14-32-29-33-15-16-34-29/h8-13,15-16,18-19,25,37H,7,14,17,20H2,1-6H3,(H,35,39)(H2,32,33,34)/t25-/m0/s1