2-[(2-nitrophenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid

Systemtic Name: 2-[(2-nitrophenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Openeye Name: 2-[(2-nitrophenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propanoic acid CAS Name: 2-[(2-nitrophenyl)sulfonylamino]-3-[[1-oxo-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]propyl]amino]propanoic acid IUPAC Name: 2-[(2-nitrophenyl)sulfonylamino]-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid Traditional Name: 2-[(2-nitrophenyl)sulfonylamino]-3-[3-[3-(4-piperidyl)propanoylamino]propanoylamino]propionic acid Formula: C20H29N5O8S MolecularWeight: 499.53796

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1CCC(=O)NCCC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O8S/c26-18(6-5-14-7-10-21-11-8-14)22-12-9-19(27)23-13-15(20(28)29)24-34(32,33)17-4-2-1-3-16(17)25(30)31/h1-4,14-15,21,24H,5-13H2,(H,22,26)(H,23,27)(H,28,29)