2-[[2-(2-azanylpropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-(phenylmethyl)pentanamide

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-(phenylmethyl)pentanamide Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-benzyl-3-methyl-pentanamide CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-N-(phenylmethyl)pentanamide IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-benzyl-3-methylpentanamide Traditional Name: 2-[[2-(alanylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-benzyl-3-methyl-valeramide Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C)N

InChI

InChI=1S/C25H34N4O4/c1-4-16(2)22(25(33)27-15-19-8-6-5-7-9-19)29-24(32)21(28-23(31)17(3)26)14-18-10-12-20(30)13-11-18/h5-13,16-17,21-22,30H,4,14-15,26H2,1-3H3,(H,27,33)(H,28,31)(H,29,32)