2-[[1-(2-azanyl-3-phenyl-propanoyl)piperidin-4-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1-(2-azanyl-3-phenyl-propanoyl)piperidin-4-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-(2-amino-3-phenyl-propanoyl)piperidine-4-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-(2-amino-1-oxo-3-phenylpropyl)-4-piperidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-(2-amino-3-phenylpropanoyl)piperidine-4-carbonyl]amino]butanedioic acid Traditional Name: 2-[(1-phenylalanylisonipecotoyl)amino]succinic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC(=O)O)C(=O)O)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC(=O)O)C(=O)O)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C19H25N3O6/c20-14(10-12-4-2-1-3-5-12)18(26)22-8-6-13(7-9-22)17(25)21-15(19(27)28)11-16(23)24/h1-5,13-15H,6-11,20H2,(H,21,25)(H,23,24)(H,27,28)