(3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: (3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidin-3-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: (3R)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]piperidine-3-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: (3R)-3-[[oxo-[(3R)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]methyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: (3R)-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: (3R)-3-[[(3R)-1-[3-(4-piperidyl)propanoyl]nipecotoyl]amino]-3-(2-thienyl)propionic acid Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2CCNCC2)C(=O)NC(CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCC2CCNCC2)C(=O)N[C@H](CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C21H31N3O4S/c25-19(6-5-15-7-9-22-10-8-15)24-11-1-3-16(14-24)21(28)23-17(13-20(26)27)18-4-2-12-29-18/h2,4,12,15-17,22H,1,3,5-11,13-14H2,(H,23,28)(H,26,27)/t16-,17-/m1/s1