methyl 4-(phenylmethoxycarbonylamino)-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]pentanoate

Systemtic Name: methyl 4-(phenylmethoxycarbonylamino)-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]pentanoate Openeye Name: methyl 4-(benzyloxycarbonylamino)-2-[2-(benzyloxycarbonylamino)pentanoylamino]pentanoate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 4-(phenylmethoxycarbonylamino)-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]pentanoate Traditional Name: 4-(benzyloxycarbonylamino)-2-[2-(benzyloxycarbonylamino)pentanoylamino]valeric acid methyl ester Formula: C27H35N3O7 MolecularWeight: 513.5827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O7/c1-4-11-22(30-27(34)37-18-21-14-9-6-10-15-21)24(31)29-23(25(32)35-3)16-19(2)28-26(33)36-17-20-12-7-5-8-13-20/h5-10,12-15,19,22-23H,4,11,16-18H2,1-3H3,(H,28,33)(H,29,31)(H,30,34)