(phenylmethyl) (4S)-4-azanyl-5-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-azanyl-5-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-4-amino-5-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-5-oxo-pentanoate CAS Name: (4S)-4-amino-5-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methylamino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-amino-5-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-5-oxopentanoate Traditional Name: (4S)-4-amino-5-keto-5-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]amino]valeric acid benzyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CNC(=O)C(CCC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CNC(=O)[C@H](CCC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C24H28N4O3/c1-27-13-14-28(18-27)16-20-9-7-19(8-10-20)15-26-24(30)22(25)11-12-23(29)31-17-21-5-3-2-4-6-21/h2-10,13-14,18,22H,11-12,15-17,25H2,1H3/p+1/t22-/m0/s1