4-[2-[(4-azanyl-4-oxidanylidene-butyl)carbamoyl]-4-(2-thiophen-2-ylethanoylamino)piperidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(4-azanyl-4-oxidanylidene-butyl)carbamoyl]-4-(2-thiophen-2-ylethanoylamino)piperidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(4-amino-4-oxo-butyl)carbamoyl]-4-[[2-(2-thienyl)acetyl]amino]-1-piperidyl]-4-oxo-butanoic acid CAS Name: 4-[2-[[(4-amino-4-oxobutyl)amino]-oxomethyl]-4-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-piperidinyl]-4-oxobutanoic acid IUPAC Name: 4-[2-[(4-amino-4-oxobutyl)carbamoyl]-4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[2-[(4-amino-4-keto-butyl)carbamoyl]-4-[[2-(2-thienyl)acetyl]amino]piperidino]-4-keto-butyric acid Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1NC(=O)CC2=CC=CS2)C(=O)NCCCC(=O)N)C(=O)CCC(=O)O

Isomeric SMILES

C1CN(C(CC1NC(=O)CC2=CC=CS2)C(=O)NCCCC(=O)N)C(=O)CCC(=O)O

InChI

InChI=1S/C20H28N4O6S/c21-16(25)4-1-8-22-20(30)15-11-13(23-17(26)12-14-3-2-10-31-14)7-9-24(15)18(27)5-6-19(28)29/h2-3,10,13,15H,1,4-9,11-12H2,(H2,21,25)(H,22,30)(H,23,26)(H,28,29)