butyl 4-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate

Systemtic Name: butyl 4-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Openeye Name: butyl 4-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]benzoate CAS Name: 4-[[(2S)-5-amino-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]benzoate Traditional Name: 4-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]benzoic acid butyl ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O6/c1-2-3-15-32-23(30)18-9-11-19(12-10-18)26-22(29)20(13-14-21(25)28)27-24(31)33-16-17-7-5-4-6-8-17/h4-12,20H,2-3,13-16H2,1H3,(H2,25,28)(H,26,29)(H,27,31)/t20-/m0/s1