(2S)-2-(hexylcarbamoylamino)-3-(hexylcarbamoylsulfanyl)propanoic acid

Systemtic Name: (2S)-2-(hexylcarbamoylamino)-3-(hexylcarbamoylsulfanyl)propanoic acid Openeye Name: (2S)-2-(hexylcarbamoylamino)-3-(hexylcarbamoylsulfanyl)propanoic acid CAS Name: (2S)-2-[[(hexylamino)-oxomethyl]amino]-3-[[(hexylamino)-oxomethyl]thio]propanoic acid IUPAC Name: (2S)-2-(hexylcarbamoylamino)-3-(hexylcarbamoylsulfanyl)propanoic acid Traditional Name: (2S)-2-(hexylcarbamoylamino)-3-(hexylcarbamoylthio)propionic acid Formula: C17H33N3O4S MolecularWeight: 375.52662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC(CSC(=O)NCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)N[C@H](CSC(=O)NCCCCCC)C(=O)O

InChI

InChI=1S/C17H33N3O4S/c1-3-5-7-9-11-18-16(23)20-14(15(21)22)13-25-17(24)19-12-10-8-6-4-2/h14H,3-13H2,1-2H3,(H,19,24)(H,21,22)(H2,18,20,23)/t14-/m1/s1