methyl (2S)-2-azanyl-6-(carbamothioylamino)hexanoate

Systemtic Name: methyl (2S)-2-azanyl-6-(carbamothioylamino)hexanoate Openeye Name: methyl (2S)-2-amino-6-(carbamothioylamino)hexanoate CAS Name: (2S)-2-amino-6-(carbamothioylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-6-(carbamothioylamino)hexanoate Traditional Name: (2S)-2-amino-6-thioureido-hexanoic acid methyl ester Formula: C8H17N3O2S MolecularWeight: 219.30448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=S)N)N

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=S)N)N

InChI

InChI=1S/C8H17N3O2S/c1-13-7(12)6(9)4-2-3-5-11-8(10)14/h6H,2-5,9H2,1H3,(H3,10,11,14)/t6-/m0/s1