4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 4-[(2-amino-4-methyl-pentanoyl)amino]-2-(benzyloxycarbonylamino)-5-methyl-3-oxo-hexanoic acid CAS Name: 4-[(2-amino-4-methyl-1-oxopentyl)amino]-5-methyl-3-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 4-[(2-amino-4-methylpentanoyl)amino]-5-methyl-3-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 4-[(2-amino-4-methyl-pentanoyl)amino]-2-(benzyloxycarbonylamino)-3-keto-5-methyl-hexanoic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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