4-[(2-acetamido-4-methyl-pentanoyl)amino]-5-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(2-acetamido-4-methyl-pentanoyl)amino]-5-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(2-acetamido-4-methyl-pentanoyl)amino]-5-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-acetamido-4-methyl-1-oxopentyl)amino]-5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 4-[(2-acetamido-4-methylpentanoyl)amino]-5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 4-[(2-acetamido-4-methyl-pentanoyl)amino]-5-[(2-amino-1-benzyl-2-keto-ethyl)amino]-5-keto-valeric acid Formula: C22H32N4O6 MolecularWeight: 448.51268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C

InChI

InChI=1S/C22H32N4O6/c1-13(2)11-18(24-14(3)27)22(32)25-16(9-10-19(28)29)21(31)26-17(20(23)30)12-15-7-5-4-6-8-15/h4-8,13,16-18H,9-12H2,1-3H3,(H2,23,30)(H,24,27)(H,25,32)(H,26,31)(H,28,29)