2-[[2-(2-azanylbutanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-N-phenethyl-pentanamide hydrochloride

Systemtic Name: 2-[[2-(2-azanylbutanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-N-phenethyl-pentanamide hydrochloride Openeye Name: 2-[[2-(2-aminobutanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-N-phenethyl-pentanamide hydrochloride CAS Name: 2-[[2-[(2-amino-1-oxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-N-phenethylpentanamide hydrochloride IUPAC Name: 2-[[2-(2-aminobutanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-N-phenethylpentanamide hydrochloride Traditional Name: 2-[[2-(2-aminobutanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-N-phenethyl-valeramide hydrochloride Formula: C27H39ClN4O4 MolecularWeight: 519.07596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2)N.Cl

Isomeric SMILES

CCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C27H38N4O4.ClH/c1-4-22(28)25(33)30-24(17-20-10-12-21(32)13-11-20)27(35)31-23(16-18(2)3)26(34)29-15-14-19-8-6-5-7-9-19;/h5-13,18,22-24,32H,4,14-17,28H2,1-3H3,(H,29,34)(H,30,33)(H,31,35);1H