(2S,3S)-2-(furan-2-ylmethylcarbamoylamino)-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-(furan-2-ylmethylcarbamoylamino)-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-(2-furylmethylcarbamoylamino)-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2-furanylmethylamino)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-(furan-2-ylmethylcarbamoylamino)-3-methylpentanoic acid Traditional Name: (2S,3S)-2-(2-furfurylcarbamoylamino)-3-methyl-valeric acid Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NCC1=CC=CO1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)NCC1=CC=CO1

InChI

InChI=1S/C12H18N2O4/c1-3-8(2)10(11(15)16)14-12(17)13-7-9-5-4-6-18-9/h4-6,8,10H,3,7H2,1-2H3,(H,15,16)(H2,13,14,17)/t8-,10-/m0/s1