2-[[2-(2-azanylpropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanamide hydrochloride

Systemtic Name: 2-[[2-(2-azanylpropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanamide hydrochloride Openeye Name: 2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanamide hydrochloride CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-phenylpropanamide hydrochloride IUPAC Name: 2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanamide hydrochloride Traditional Name: 2-[[2-(alanylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propionamide hydrochloride Formula: C21H27ClN4O4 MolecularWeight: 434.91648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N)N.Cl

Isomeric SMILES

CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N)N.Cl

InChI

InChI=1S/C21H26N4O4.ClH/c1-13(22)20(28)25-18(12-15-7-9-16(26)10-8-15)21(29)24-17(19(23)27)11-14-5-3-2-4-6-14;/h2-10,13,17-18,26H,11-12,22H2,1H3,(H2,23,27)(H,24,29)(H,25,28);1H