(2S)-2-[3-(2-ethylhexoxycarbonylamino)propanoylamino]-3-(4H-imidazol-4-yl)propanoic acid

Systemtic Name: (2S)-2-[3-(2-ethylhexoxycarbonylamino)propanoylamino]-3-(4H-imidazol-4-yl)propanoic acid Openeye Name: (2S)-2-[3-(2-ethylhexoxycarbonylamino)propanoylamino]-3-(4H-imidazol-4-yl)propanoic acid CAS Name: (2S)-2-[[3-[[2-ethylhexoxy(oxo)methyl]amino]-1-oxopropyl]amino]-3-(4H-imidazol-4-yl)propanoic acid IUPAC Name: (2S)-2-[3-(2-ethylhexoxycarbonylamino)propanoylamino]-3-(4H-imidazol-4-yl)propanoic acid Traditional Name: (2S)-2-[3-(2-ethylhexoxycarbonylamino)propanoylamino]-3-(4H-imidazol-4-yl)propionic acid Formula: C18H30N4O5 MolecularWeight: 382.4546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)NCCC(=O)NC(CC1C=NC=N1)C(=O)O

Isomeric SMILES

CCCCC(CC)COC(=O)NCCC(=O)N[C@@H](CC1C=NC=N1)C(=O)O

InChI

InChI=1S/C18H30N4O5/c1-3-5-6-13(4-2)11-27-18(26)20-8-7-16(23)22-15(17(24)25)9-14-10-19-12-21-14/h10,12-15H,3-9,11H2,1-2H3,(H,20,26)(H,22,23)(H,24,25)/t13?,14?,15-/m0/s1