(E)-4-[[(2S)-5-(diethylamino)pentan-2-yl]carbamoylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[(2S)-5-(diethylamino)pentan-2-yl]carbamoylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(1S)-4-(diethylamino)-1-methyl-butyl]carbamoylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[[[(2S)-5-(diethylamino)pentan-2-yl]amino]-oxomethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2S)-5-(diethylamino)pentan-2-yl]carbamoylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(1S)-4-(diethylamino)-1-methyl-butyl]carbamoylamino]-4-keto-but-2-enoic acid Formula: C14H25N3O4 MolecularWeight: 299.366

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC(=O)NC(=O)C=CC(=O)O

Isomeric SMILES

CCN(CC)CCC[C@H](C)NC(=O)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H25N3O4/c1-4-17(5-2)10-6-7-11(3)15-14(21)16-12(18)8-9-13(19)20/h8-9,11H,4-7,10H2,1-3H3,(H,19,20)(H2,15,16,18,21)/b9-8+/t11-/m0/s1