(2S)-2-[[5-(furan-2-ylcarbonylamino)-2-methoxy-phenyl]carbamoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[5-(furan-2-ylcarbonylamino)-2-methoxy-phenyl]carbamoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[5-(furan-2-carbonylamino)-2-methoxy-phenyl]carbamoylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[5-[[2-furanyl(oxo)methyl]amino]-2-methoxyanilino]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[5-(2-furoylamino)-2-methoxy-phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CO2)OC

InChI

InChI=1S/C18H21N3O6/c1-10(2)15(17(23)24)21-18(25)20-12-9-11(6-7-13(12)26-3)19-16(22)14-5-4-8-27-14/h4-10,15H,1-3H3,(H,19,22)(H,23,24)(H2,20,21,25)/t15-/m0/s1