methyl 2-[[5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[[5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[[5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[[5-amino-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[[5-amino-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H25N5O6/c1-30-19(28)16(9-14-10-22-12-23-14)24-18(27)15(7-8-17(21)26)25-20(29)31-11-13-5-3-2-4-6-13/h2-6,10,12,15-16H,7-9,11H2,1H3,(H2,21,26)(H,22,23)(H,24,27)(H,25,29)