ethyl 2-[[5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[5-amino-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[5-amino-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]-4-methyl-valeric acid ethyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O6/c1-4-29-20(27)17(12-14(2)3)23-19(26)16(10-11-18(22)25)24-21(28)30-13-15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3,(H2,22,25)(H,23,26)(H,24,28)