O1-(4-nitrophenyl) O5-(phenylmethyl) 2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]pentanedioate

Systemtic Name: O1-(4-nitrophenyl) O5-(phenylmethyl) 2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]pentanedioate Openeye Name: O5-benzyl O1-(4-nitrophenyl) 2-[[6-amino-2-[bis(benzyloxycarbonyl)amino]hexanoyl]amino]pentanedioate CAS Name: 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]-1-oxohexyl]amino]pentanedioic acid O1-(4-nitrophenyl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-(4-nitrophenyl) 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]pentanedioate Traditional Name: 2-[[6-amino-2-(dicarbobenzoxyamino)hexanoyl]amino]glutaric acid O5-benzyl ester O1-(4-nitrophenyl) ester Formula: C40H42N4O11 MolecularWeight: 754.78168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(CCCCN)N(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(CCCCN)N(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C40H42N4O11/c41-25-11-10-18-35(43(39(48)53-27-30-14-6-2-7-15-30)40(49)54-28-31-16-8-3-9-17-31)37(46)42-34(23-24-36(45)52-26-29-12-4-1-5-13-29)38(47)55-33-21-19-32(20-22-33)44(50)51/h1-9,12-17,19-22,34-35H,10-11,18,23-28,41H2,(H,42,46)