2-[[2-(2-azanylpropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(alanylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-valeric acid Formula: C18H27N3O5 MolecularWeight: 365.42408

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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)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-4-10(2)15(18(25)26)21-17(24)14(20-16(23)11(3)19)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)