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

Systemtic Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazol-5-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[[1-[3-(1H-imidazol-2-ylamino)propyl]-5-indazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]propionic acid Formula: C27H33N7O5S MolecularWeight: 567.65982

Click to see the large picture

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)O

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)O

InChI

InChI=1S/C27H33N7O5S/c1-27(2,3)20-6-8-21(9-7-20)40(38,39)33-22(25(36)37)17-31-24(35)18-5-10-23-19(15-18)16-32-34(23)14-4-11-28-26-29-12-13-30-26/h5-10,12-13,15-16,22,33H,4,11,14,17H2,1-3H3,(H,31,35)(H,36,37)(H2,28,29,30)/t22-/m0/s1