(E)-4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-[(2S)-2-methyl-1-piperidyl]propylcarbamoylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[[3-[(2S)-2-methyl-1-piperidinyl]propylamino]-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[3-[(2S)-2-methylpiperidino]propylcarbamoylamino]but-2-enoic acid Formula: C14H23N3O4 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

C[C@H]1CCCCN1CCCNC(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H23N3O4/c1-11-5-2-3-9-17(11)10-4-8-15-14(21)16-12(18)6-7-13(19)20/h6-7,11H,2-5,8-10H2,1H3,(H,19,20)(H2,15,16,18,21)/b7-6+/t11-/m0/s1