(2S)-2-azanyl-3-[[5-[4-(1H-imidazol-2-ylamino)butyl]-4,5-dihydro-1,2-oxazol-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[[5-[4-(1H-imidazol-2-ylamino)butyl]-4,5-dihydro-1,2-oxazol-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-amino-3-[[5-[4-(1H-imidazol-2-ylamino)butyl]-4,5-dihydroisoxazole-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-amino-3-[[[5-[4-(1H-imidazol-2-ylamino)butyl]-4,5-dihydroisoxazol-3-yl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-amino-3-[[5-[4-(1H-imidazol-2-ylamino)butyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-amino-3-[[5-[4-(1H-imidazol-2-ylamino)butyl]-2-isoxazoline-3-carbonyl]amino]propionic acid Formula: C14H22N6O4 MolecularWeight: 338.36228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C(=O)NCC(C(=O)O)N)CCCCNC2=NC=CN2

Isomeric SMILES

C1C(ON=C1C(=O)NC[C@@H](C(=O)O)N)CCCCNC2=NC=CN2

InChI

InChI=1S/C14H22N6O4/c15-10(13(22)23)8-19-12(21)11-7-9(24-20-11)3-1-2-4-16-14-17-5-6-18-14/h5-6,9-10H,1-4,7-8,15H2,(H,19,21)(H,22,23)(H2,16,17,18)/t9?,10-/m0/s1