3-[(phenylmethyl)-[3-(prop-2-enylamino)propanoyl]amino]propanoic acid

Systemtic Name: 3-[(phenylmethyl)-[3-(prop-2-enylamino)propanoyl]amino]propanoic acid Openeye Name: 3-[3-(allylamino)propanoyl-benzyl-amino]propanoic acid CAS Name: 3-[[1-oxo-3-(prop-2-enylamino)propyl]-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-[3-(prop-2-enylamino)propanoyl]amino]propanoic acid Traditional Name: 3-[3-(allylamino)propanoyl-benzyl-amino]propionic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCCC(=O)N(CCC(=O)O)CC1=CC=CC=C1

Isomeric SMILES

C=CCNCCC(=O)N(CCC(=O)O)CC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O3/c1-2-10-17-11-8-15(19)18(12-9-16(20)21)13-14-6-4-3-5-7-14/h2-7,17H,1,8-13H2,(H,20,21)