2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]propionic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6/c1-5-11(2)17(19(27)21-12(3)20(28)29)23-18(26)16(22-13(4)24)10-14-6-8-15(25)9-7-14/h6-9,11-12,16-17,25H,5,10H2,1-4H3,(H,21,27)(H,22,24)(H,23,26)(H,28,29)