5-[2-(2-azanylpropanoylamino)phenyl]-4-[(6-methyl-3-oxidanyl-heptanoyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(2-azanylpropanoylamino)phenyl]-4-[(6-methyl-3-oxidanyl-heptanoyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(2-aminopropanoylamino)phenyl]-4-[(3-hydroxy-6-methyl-heptanoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-[2-[(2-amino-1-oxopropyl)amino]phenyl]-4-[(3-hydroxy-6-methyl-1-oxoheptyl)amino]-5-oxopentanoic acid IUPAC Name: 5-[2-(2-aminopropanoylamino)phenyl]-4-[(3-hydroxy-6-methylheptanoyl)amino]-5-oxopentanoic acid Traditional Name: 5-[2-(alanylamino)phenyl]-4-[(3-hydroxy-6-methyl-heptanoyl)amino]-5-keto-valeric acid Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(=O)NC(CCC(=O)O)C(=O)C1=CC=CC=C1NC(=O)C(C)N)O

Isomeric SMILES

CC(C)CCC(CC(=O)NC(CCC(=O)O)C(=O)C1=CC=CC=C1NC(=O)C(C)N)O

InChI

InChI=1S/C22H33N3O6/c1-13(2)8-9-15(26)12-19(27)24-18(10-11-20(28)29)21(30)16-6-4-5-7-17(16)25-22(31)14(3)23/h4-7,13-15,18,26H,8-12,23H2,1-3H3,(H,24,27)(H,25,31)(H,28,29)