(2S)-6-acetamido-2-[[(2S)-2-acetamido-3-octadecylsulfanyl-propanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-acetamido-2-[[(2S)-2-acetamido-3-octadecylsulfanyl-propanoyl]amino]hexanoic acid Openeye Name: (2S)-6-acetamido-2-[[(2S)-2-acetamido-3-octadecylsulfanyl-propanoyl]amino]hexanoic acid CAS Name: (2S)-6-acetamido-2-[[(2S)-2-acetamido-3-(octadecylthio)-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2S)-6-acetamido-2-[[(2S)-2-acetamido-3-octadecylsulfanylpropanoyl]amino]hexanoic acid Traditional Name: (2S)-6-acetamido-2-[[(2S)-2-acetamido-3-(stearylthio)propanoyl]amino]hexanoic acid Formula: C31H59N3O5S MolecularWeight: 585.88226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(C(=O)NC(CCCCNC(=O)C)C(=O)O)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC[C@H](C(=O)N[C@@H](CCCCNC(=O)C)C(=O)O)NC(=O)C

InChI

InChI=1S/C31H59N3O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-40-25-29(33-27(3)36)30(37)34-28(31(38)39)22-19-20-23-32-26(2)35/h28-29H,4-25H2,1-3H3,(H,32,35)(H,33,36)(H,34,37)(H,38,39)/t28-,29+/m0/s1