(2S)-2-[[(2S)-2-(octylcarbamoylamino)-3-oxidanyl-propanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-(octylcarbamoylamino)-3-oxidanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-3-hydroxy-2-(octylcarbamoylamino)propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(octylamino)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-3-hydroxy-2-(octylcarbamoylamino)propanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-3-hydroxy-2-(octylcarbamoylamino)propanoyl]amino]propionic acid Formula: C15H29N3O5 MolecularWeight: 331.40786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC(CO)C(=O)NC(C)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C15H29N3O5/c1-3-4-5-6-7-8-9-16-15(23)18-12(10-19)13(20)17-11(2)14(21)22/h11-12,19H,3-10H2,1-2H3,(H,17,20)(H,21,22)(H2,16,18,23)/t11-,12-/m0/s1