methyl 2-acetyloxy-2-[7-[bis(phenylmethoxycarbonylamino)methylideneamino]heptanoylamino]ethanoate

Systemtic Name: methyl 2-acetyloxy-2-[7-[bis(phenylmethoxycarbonylamino)methylideneamino]heptanoylamino]ethanoate Openeye Name: methyl 2-acetoxy-2-[7-[bis(benzyloxycarbonylamino)methyleneamino]heptanoylamino]acetate CAS Name: 2-acetyloxy-2-[[7-[bis(phenylmethoxycarbonylamino)methylideneamino]-1-oxoheptyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-acetyloxy-2-[7-[bis(phenylmethoxycarbonylamino)methylideneamino]heptanoylamino]acetate Traditional Name: 2-acetoxy-2-[7-[bis(benzyloxycarbonylamino)methyleneamino]heptanoylamino]acetic acid methyl ester Formula: C29H36N4O9 MolecularWeight: 584.61754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(=O)OC)NC(=O)CCCCCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(C(=O)OC)NC(=O)CCCCCCN=C(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H36N4O9/c1-21(34)42-25(26(36)39-2)31-24(35)17-11-3-4-12-18-30-27(32-28(37)40-19-22-13-7-5-8-14-22)33-29(38)41-20-23-15-9-6-10-16-23/h5-10,13-16,25H,3-4,11-12,17-20H2,1-2H3,(H,31,35)(H2,30,32,33,37,38)