(1R,2S)-2-[[3-(aminocarbonylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[[3-(aminocarbonylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(3-allophanoyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[[3-[(carbamoylamino)-oxomethyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[[3-(carbamoylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(3-allophanoyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C14H16N3O5S- MolecularWeight: 338.35894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=C(C=CS2)C(=O)NC(=O)N)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=C(C=CS2)C(=O)NC(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c15-14(22)17-11(19)9-5-6-23-12(9)16-10(18)7-3-1-2-4-8(7)13(20)21/h5-8H,1-4H2,(H,16,18)(H,20,21)(H3,15,17,19,22)/p-1/t7-,8+/m0/s1