(Z)-1-diazonio-3-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]prop-1-en-2-olate

Systemtic Name: (Z)-1-diazonio-3-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]prop-1-en-2-olate Openeye Name: (Z)-3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-1-diazonio-prop-1-en-2-olate CAS Name: (Z)-1-diazonio-3-[[(2S)-3-methyl-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxobutyl]amino]-1-propen-2-olate IUPAC Name: (Z)-1-diazonio-3-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]prop-1-en-2-olate Traditional Name: (Z)-3-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-1-diazonio-prop-1-en-2-olate Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=C[N+]#N)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NC/C(=C/[N+]#N)/[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H31N5O5/c1-14(2)10-18(26-22(31)32-13-16-8-6-5-7-9-16)20(29)27-19(15(3)4)21(30)24-11-17(28)12-25-23/h5-9,12,14-15,18-19H,10-11,13H2,1-4H3,(H3-,24,26,27,28,29,30,31)/b17-12-/t18-,19-/m0/s1