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

Systemtic Name: (2S)-2-[[(2S)-2-(heptylcarbamoylamino)-3-oxidanyl-propanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-(heptylcarbamoylamino)-3-hydroxy-propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(heptylamino)-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-(heptylcarbamoylamino)-3-hydroxypropanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-(heptylcarbamoylamino)-3-hydroxy-propanoyl]amino]propionic acid Formula: C14H27N3O5 MolecularWeight: 317.38128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)NC(CO)C(=O)NC(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O5/c1-3-4-5-6-7-8-15-14(22)17-11(9-18)12(19)16-10(2)13(20)21/h10-11,18H,3-9H2,1-2H3,(H,16,19)(H,20,21)(H2,15,17,22)/t10-,11-/m0/s1