methyl 5-[[(2S)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[(2S)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-oxidanylidene-pentanoate Openeye Name: methyl 5-[[(2S)-2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]amino]-4-oxo-pentanoate CAS Name: 5-[[(2S)-2-acetamido-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[(2S)-2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-oxopentanoate Traditional Name: 5-[[(2S)-2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]amino]-4-keto-valeric acid methyl ester Formula: C22H31N3O7 MolecularWeight: 449.49744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC(=O)CCC(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC(=O)CCC(=O)OC

InChI

InChI=1S/C22H31N3O7/c1-16(26)25-19(21(29)24-14-18(27)11-12-20(28)31-2)10-6-7-13-23-22(30)32-15-17-8-4-3-5-9-17/h3-5,8-9,19H,6-7,10-15H2,1-2H3,(H,23,30)(H,24,29)(H,25,26)/t19-/m0/s1