N-[(4S)-5-[[(2S)-5-[(Z)-oxidanidyl-(phenylmethylidene)azaniumyl]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-5-[(Z)-oxidanidyl-(phenylmethylidene)azaniumyl]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentyl]-1-phenyl-methanimine oxide

Systemtic Name: N-[(4S)-5-[[(2S)-5-[(Z)-oxidanidyl-(phenylmethylidene)azaniumyl]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[(2S)-5-[(Z)-oxidanidyl-(phenylmethylidene)azaniumyl]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentyl]-1-phenyl-methanimine oxide Openeye Name: N-[(4S)-4-[[(2S)-5-[(Z)-benzylidene(oxido)ammonio]-2-(benzyloxycarbonylamino)pentanoyl]amino]-5-[[(1S)-4-[(Z)-benzylidene(oxido)ammonio]-1-carboxy-butyl]amino]-5-oxo-pentyl]-1-phenyl-methanimine oxide CAS Name: N-[(4S)-5-[[(2S)-1-hydroxy-5-[(Z)-oxido-(phenylmethylene)ammonio]-1-oxopentan-2-yl]amino]-4-[[(2S)-5-[(Z)-oxido-(phenylmethylene)ammonio]-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxopentyl]-1-phenylmethanimine oxide IUPAC Name: N-[(4S)-5-[[(2S)-5-[(Z)-benzylidene(oxido)azaniumyl]-1-hydroxy-1-oxopentan-2-yl]amino]-4-[[(2S)-5-[(Z)-benzylidene(oxido)azaniumyl]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentyl]-1-phenylmethanimine oxide Traditional Name: N-[(4S)-4-[[(2S)-5-[(Z)-benzal(oxido)ammonio]-2-(benzyloxycarbonylamino)pentanoyl]amino]-5-[[(1S)-4-[(Z)-benzal(oxido)ammonio]-1-carboxy-butyl]amino]-5-keto-pentyl]-1-phenyl-methanimine oxide Formula: C44H50N6O9 MolecularWeight: 806.9026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC[N+](=CC2=CC=CC=C2)[O-])C(=O)NC(CCC[N+](=CC3=CC=CC=C3)[O-])C(=O)NC(CCC[N+](=CC4=CC=CC=C4)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCC/[N+](=C/C2=CC=CC=C2)/[O-])C(=O)N[C@@H](CCC/[N+](=C\C3=CC=CC=C3)/[O-])C(=O)N[C@@H](CCC/[N+](=C/C4=CC=CC=C4)/[O-])C(=O)O

InChI

InChI=1S/C44H50N6O9/c51-41(46-40(43(53)54)26-15-29-50(58)32-36-20-9-3-10-21-36)38(24-13-27-48(56)30-34-16-5-1-6-17-34)45-42(52)39(47-44(55)59-33-37-22-11-4-12-23-37)25-14-28-49(57)31-35-18-7-2-8-19-35/h1-12,16-23,30-32,38-40H,13-15,24-29,33H2,(H,45,52)(H,46,51)(H,47,55)(H,53,54)/b48-30+,49-31-,50-32-/t38-,39-,40-/m0/s1