3-methyl-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]pentanoic acid Traditional Name: 3-methyl-2-[3-(3-thenoylamino)propanoylamino]valeric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCNC(=O)C1=CSC=C1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCNC(=O)C1=CSC=C1

InChI

InChI=1S/C14H20N2O4S/c1-3-9(2)12(14(19)20)16-11(17)4-6-15-13(18)10-5-7-21-8-10/h5,7-9,12H,3-4,6H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)