(4R,5S,6S,7R)-1-[(3-azanyl-1H-indazol-5-yl)methyl]-3-butyl-4,7-bis[(4-methylphenyl)methyl]-5,6-bis(oxidanyl)-1,3-diazepan-2-one

Systemtic Name: (4R,5S,6S,7R)-1-[(3-azanyl-1H-indazol-5-yl)methyl]-3-butyl-4,7-bis[(4-methylphenyl)methyl]-5,6-bis(oxidanyl)-1,3-diazepan-2-one Openeye Name: (4R,5S,6S,7R)-1-[(3-amino-1H-indazol-5-yl)methyl]-3-butyl-5,6-dihydroxy-4,7-bis(p-tolylmethyl)-1,3-diazepan-2-one CAS Name: (4R,5S,6S,7R)-1-[(3-amino-1H-indazol-5-yl)methyl]-3-butyl-5,6-dihydroxy-4,7-bis[(4-methylphenyl)methyl]-1,3-diazepan-2-one IUPAC Name: (4R,5S,6S,7R)-1-[(3-amino-1H-indazol-5-yl)methyl]-3-butyl-5,6-dihydroxy-4,7-bis[(4-methylphenyl)methyl]-1,3-diazepan-2-one Traditional Name: (4R,5S,6S,7R)-1-[(3-amino-1H-indazol-5-yl)methyl]-3-butyl-5,6-dihydroxy-4,7-bis(4-methylbenzyl)-1,3-diazepan-2-one Formula: C33H41N5O3 MolecularWeight: 555.71034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(C(C(N(C1=O)CC2=CC3=C(C=C2)NN=C3N)CC4=CC=C(C=C4)C)O)O)CC5=CC=C(C=C5)C

Isomeric SMILES

CCCCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC2=CC3=C(C=C2)NN=C3N)CC4=CC=C(C=C4)C)O)O)CC5=CC=C(C=C5)C

InChI

InChI=1S/C33H41N5O3/c1-4-5-16-37-28(18-23-10-6-21(2)7-11-23)30(39)31(40)29(19-24-12-8-22(3)9-13-24)38(33(37)41)20-25-14-15-27-26(17-25)32(34)36-35-27/h6-15,17,28-31,39-40H,4-5,16,18-20H2,1-3H3,(H3,34,35,36)/t28-,29-,30+,31+/m1/s1