3-methyl-2-[[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid Openeye Name: 2-[[2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid Traditional Name: 2-[[2-[allyl(2-thenyl)amino]-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)N(CC=C)CC1=CC=CS1

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)N(CC=C)CC1=CC=CS1

InChI

InChI=1S/C15H22N2O3S/c1-4-7-17(10-12-6-5-8-21-12)13(18)9-16-14(11(2)3)15(19)20/h4-6,8,11,14,16H,1,7,9-10H2,2-3H3,(H,19,20)