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

Systemtic Name: 4-methyl-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]pentanoic acid Traditional Name: 4-methyl-2-[3-(3-thenoylamino)propanoylamino]valeric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-9(2)7-11(14(19)20)16-12(17)3-5-15-13(18)10-4-6-21-8-10/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)