2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-phenethyl-pentanamide

Systemtic Name: 2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-phenethyl-pentanamide Openeye Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-phenethyl-pentanamide CAS Name: 2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-N-phenethylpentanamide IUPAC Name: 2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-phenethylpentanamide Traditional Name: 2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-N-phenethyl-valeramide Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)C)N

InChI

InChI=1S/C28H40N4O4/c1-5-19(4)25(28(36)30-16-15-20-9-7-6-8-10-20)32-26(34)23(31-27(35)24(29)18(2)3)17-21-11-13-22(33)14-12-21/h6-14,18-19,23-25,33H,5,15-17,29H2,1-4H3,(H,30,36)(H,31,35)(H,32,34)