(phenylmethyl) 4-[2-[2,4-bis(oxidanylidene)-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]ethanoyl-propan-2-yl-amino]benzoate

Systemtic Name: (phenylmethyl) 4-[2-[2,4-bis(oxidanylidene)-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]ethanoyl-propan-2-yl-amino]benzoate Openeye Name: benzyl 4-[[2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]acetyl]-isopropyl-amino]benzoate CAS Name: 4-[[2-[3-[[anilino(oxo)methyl]amino]-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-1-oxoethyl]-propan-2-ylamino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[2-[2,4-dioxo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]acetyl]-propan-2-ylamino]benzoate Traditional Name: 4-[[2-[2,4-diketo-5-phenyl-3-(phenylcarbamoylamino)-1,5-benzodiazepin-1-yl]acetyl]-isopropyl-amino]benzoic acid benzyl ester Formula: C41H37N5O6 MolecularWeight: 695.76238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N(C(=O)C(C3=O)NC(=O)NC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4N(C(=O)C(C3=O)NC(=O)NC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H37N5O6/c1-28(2)45(33-24-22-30(23-25-33)40(50)52-27-29-14-6-3-7-15-29)36(47)26-44-34-20-12-13-21-35(34)46(32-18-10-5-11-19-32)39(49)37(38(44)48)43-41(51)42-31-16-8-4-9-17-31/h3-25,28,37H,26-27H2,1-2H3,(H2,42,43,51)