methyl (2S,3S)-2-(furan-2-ylmethylcarbamoylamino)-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-(furan-2-ylmethylcarbamoylamino)-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-(2-furylmethylcarbamoylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2-furanylmethylamino)-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(furan-2-ylmethylcarbamoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(2-furfurylcarbamoylamino)-3-methyl-valeric acid methyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-4-9(2)11(12(16)18-3)15-13(17)14-8-10-6-5-7-19-10/h5-7,9,11H,4,8H2,1-3H3,(H2,14,15,17)/t9-,11-/m0/s1