(E,3S)-5-methyl-2-oxidanyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-ene-1-diazonium

Systemtic Name: (E,3S)-5-methyl-2-oxidanyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-ene-1-diazonium Openeye Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-hydroxy-5-methyl-hex-1-ene-1-diazonium CAS Name: (E,3S)-2-hydroxy-5-methyl-3-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-1-hexene-1-diazonium IUPAC Name: (E,3S)-2-hydroxy-5-methyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-1-ene-1-diazonium Traditional Name: (E,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-2-hydroxy-5-methyl-hex-1-ene-1-diazonium Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-12(2)9-15(16(23)10-20-19)22-17(24)13(3)21-18(25)26-11-14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11H2,1-3H3,(H2-,21,22,23,24,25)/p+1/b16-10+/t13-,15-/m0/s1