2-[[2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-amino-3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]amino]-3-methyl-valeric acid Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5/c1-3-8(2)13(15(21)22)17-14(20)10(16)6-9-4-5-11(18)12(19)7-9/h4-5,7-8,10,13,18-19H,3,6,16H2,1-2H3,(H,17,20)(H,21,22)