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

Systemtic Name: 2-[[2-(2-azanylpentanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-(phenylmethyl)pentanamide Openeye Name: 2-[[2-(2-aminopentanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-benzyl-3-methyl-pentanamide CAS Name: 2-[[2-[(2-amino-1-oxopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-N-(phenylmethyl)pentanamide IUPAC Name: 2-[[2-(2-aminopentanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-benzyl-3-methylpentanamide Traditional Name: 2-[[2-(2-aminopentanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-benzyl-3-methyl-valeramide Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)CC)C(=O)NCC2=CC=CC=C2)N

Isomeric SMILES

CCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)CC)C(=O)NCC2=CC=CC=C2)N

InChI

InChI=1S/C27H38N4O4/c1-4-9-22(28)25(33)30-23(16-19-12-14-21(32)15-13-19)26(34)31-24(18(3)5-2)27(35)29-17-20-10-7-6-8-11-20/h6-8,10-15,18,22-24,32H,4-5,9,16-17,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,34)