(2S)-4-methylsulfanyl-2-[6-[[(2R)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]hexylcarbamoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[6-[[(2R)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]hexylcarbamoylamino]butanoic acid Openeye Name: (2S)-2-[6-[[(1R)-1-carboxy-3-methylsulfanyl-propyl]carbamoylamino]hexylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[6-[[[[(2R)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]amino]hexylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[6-[[(2R)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]hexylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[6-[[(1R)-1-carboxy-3-(methylthio)propyl]carbamoylamino]hexylcarbamoylamino]-4-(methylthio)butyric acid Formula: C18H34N4O6S2 MolecularWeight: 466.61576

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCCCCCCNC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)NCCCCCCNC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C18H34N4O6S2/c1-29-11-7-13(15(23)24)21-17(27)19-9-5-3-4-6-10-20-18(28)22-14(16(25)26)8-12-30-2/h13-14H,3-12H2,1-2H3,(H,23,24)(H,25,26)(H2,19,21,27)(H2,20,22,28)/t13-,14+