(2S)-2-[[5-methyl-4-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[5-methyl-4-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[5-methyl-4-[(4-methylpiperazin-1-yl)methyl]furan-2-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[5-methyl-4-[(4-methyl-1-piperazinyl)methyl]-2-furanyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[5-methyl-4-[(4-methylpiperazin-1-yl)methyl]furan-2-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[5-methyl-4-[(4-methylpiperazino)methyl]-2-furoyl]amino]propionic acid Formula: C15H23N3O4 MolecularWeight: 309.36082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)NC(C)C(=O)O)CN2CCN(CC2)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N[C@@H](C)C(=O)O)CN2CCN(CC2)C

InChI

InChI=1S/C15H23N3O4/c1-10(15(20)21)16-14(19)13-8-12(11(2)22-13)9-18-6-4-17(3)5-7-18/h8,10H,4-7,9H2,1-3H3,(H,16,19)(H,20,21)/t10-/m0/s1