2-[[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoyl]amino]-formamido-amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoyl]amino]-formamido-amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetyl]amino]-formamido-amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-formamidoamino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetyl]amino]-formamidoamino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetyl]amino]-formamido-amino]-3-mercapto-3-methyl-butyric acid Formula: C19H26N6O7S2 MolecularWeight: 514.57574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)NN(C(C(=O)O)C(C)(C)S)NC=O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)NN(C(C(=O)O)C(C)(C)S)NC=O

InChI

InChI=1S/C19H26N6O7S2/c1-4-23-7-8-24(16(29)15(23)28)18(32)21-12(11-6-5-9-34-11)14(27)22-25(20-10-26)13(17(30)31)19(2,3)33/h5-6,9-10,12-13,33H,4,7-8H2,1-3H3,(H,20,26)(H,21,32)(H,22,27)(H,30,31)