[3-[[(3S)-3-azanyl-4-methoxy-4-oxidanylidene-butyl]carbamoylamino]phenyl]boronic acid

Systemtic Name: [3-[[(3S)-3-azanyl-4-methoxy-4-oxidanylidene-butyl]carbamoylamino]phenyl]boronic acid Openeye Name: [3-[[(3S)-3-amino-4-methoxy-4-oxo-butyl]carbamoylamino]phenyl]boronic acid CAS Name: [3-[[[[(3S)-3-amino-4-methoxy-4-oxobutyl]amino]-oxomethyl]amino]phenyl]boronic acid IUPAC Name: [3-[[(3S)-3-amino-4-methoxy-4-oxobutyl]carbamoylamino]phenyl]boronic acid Traditional Name: [3-[[(3S)-3-amino-4-keto-4-methoxy-butyl]carbamoylamino]phenyl]boronic acid Formula: C12H18BN3O5 MolecularWeight: 295.09942

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)NC(=O)NCCC(C(=O)OC)N)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)NC(=O)NCC[C@@H](C(=O)OC)N)(O)O

InChI

InChI=1S/C12H18BN3O5/c1-21-11(17)10(14)5-6-15-12(18)16-9-4-2-3-8(7-9)13(19)20/h2-4,7,10,19-20H,5-6,14H2,1H3,(H2,15,16,18)/t10-/m0/s1