(2S)-2-[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(cyclopentylamino)-2-oxo-ethyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[[2-(cyclopentylamino)-2-oxoethyl]amino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(cyclopentylamino)-2-oxoethyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(cyclopentylamino)-2-keto-ethyl]carbamoylamino]-4-(methylthio)butyrate Formula: C13H22N3O4S- MolecularWeight: 316.39648

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NCC(=O)NC1CCCC1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NCC(=O)NC1CCCC1

InChI

InChI=1S/C13H23N3O4S/c1-21-7-6-10(12(18)19)16-13(20)14-8-11(17)15-9-4-2-3-5-9/h9-10H,2-8H2,1H3,(H,15,17)(H,18,19)(H2,14,16,20)/p-1/t10-/m0/s1