2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]succinic acid Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O7/c1-9(2)15(19)17(26)20-12(7-10-3-5-11(22)6-4-10)16(25)21-13(18(27)28)8-14(23)24/h3-6,9,12-13,15,22H,7-8,19H2,1-2H3,(H,20,26)(H,21,25)(H,23,24)(H,27,28)