bis(phenylmethyl) 2-[4-[(2S)-3-(hexylamino)-3-oxidanylidene-2-[(4-oxidanylidene-4-phenylmethoxy-butanoyl)amino]propyl]phenoxy]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[4-[(2S)-3-(hexylamino)-3-oxidanylidene-2-[(4-oxidanylidene-4-phenylmethoxy-butanoyl)amino]propyl]phenoxy]propanedioate Openeye Name: dibenzyl 2-[4-[(2S)-2-[(4-benzyloxy-4-oxo-butanoyl)amino]-3-(hexylamino)-3-oxo-propyl]phenoxy]propanedioate CAS Name: 2-[4-[(2S)-2-[(1,4-dioxo-4-phenylmethoxybutyl)amino]-3-(hexylamino)-3-oxopropyl]phenoxy]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[4-[(2S)-3-(hexylamino)-3-oxo-2-[(4-oxo-4-phenylmethoxybutanoyl)amino]propyl]phenoxy]propanedioate Traditional Name: 2-[4-[(2S)-2-[(4-benzoxy-4-keto-butanoyl)amino]-3-(hexylamino)-3-keto-propyl]phenoxy]malonic acid dibenzyl ester Formula: C43H48N2O9 MolecularWeight: 736.84922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(CC1=CC=C(C=C1)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)CCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCNC(=O)[C@H](CC1=CC=C(C=C1)OC(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)CCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C43H48N2O9/c1-2-3-4-14-27-44-41(48)37(45-38(46)25-26-39(47)51-29-33-15-8-5-9-16-33)28-32-21-23-36(24-22-32)54-40(42(49)52-30-34-17-10-6-11-18-34)43(50)53-31-35-19-12-7-13-20-35/h5-13,15-24,37,40H,2-4,14,25-31H2,1H3,(H,44,48)(H,45,46)/t37-/m0/s1