N-[1-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-butylsulfonyl-amino]-1-oxidanylidene-3-[4-(1,2,3-triazol-1-yl)phenyl]propan-2-yl]-N,3,5-trimethyl-benzamide

Systemtic Name: N-[1-[[1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-butylsulfonyl-amino]-1-oxidanylidene-3-[4-(1,2,3-triazol-1-yl)phenyl]propan-2-yl]-N,3,5-trimethyl-benzamide Openeye Name: N-[2-[[2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-butylsulfonyl-amino]-2-oxo-1-[[4-(triazol-1-yl)phenyl]methyl]ethyl]-N,3,5-trimethyl-benzamide CAS Name: N-[1-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-butylsulfonylamino]-1-oxo-3-[4-(1-triazolyl)phenyl]propan-2-yl]-N,3,5-trimethylbenzamide IUPAC Name: N-[1-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-butylsulfonylamino]-1-oxo-3-[4-(triazol-1-yl)phenyl]propan-2-yl]-N,3,5-trimethylbenzamide Traditional Name: N-[2-[[2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-butylsulfonyl-amino]-2-keto-1-[4-(triazol-1-yl)benzyl]ethyl]-N,3,5-trimethyl-benzamide Formula: C36H41N7O5S MolecularWeight: 683.81964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)C(CC3=CC=C(C=C3)N4C=CN=N4)N(C)C(=O)C5=CC(=CC(=C5)C)C

Isomeric SMILES

CCCCS(=O)(=O)N(C(CC1=CNC2=CC=CC=C21)C(=O)N)C(=O)C(CC3=CC=C(C=C3)N4C=CN=N4)N(C)C(=O)C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C36H41N7O5S/c1-5-6-17-49(47,48)43(32(34(37)44)22-28-23-38-31-10-8-7-9-30(28)31)36(46)33(41(4)35(45)27-19-24(2)18-25(3)20-27)21-26-11-13-29(14-12-26)42-16-15-39-40-42/h7-16,18-20,23,32-33,38H,5-6,17,21-22H2,1-4H3,(H2,37,44)