(3S)-2-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butane-1-diazonium

Systemtic Name: (3S)-2-oxidanylidene-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butane-1-diazonium Openeye Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-oxo-butane-1-diazonium CAS Name: (3S)-2-oxo-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-1-butanediazonium IUPAC Name: (3S)-2-oxo-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butane-1-diazonium Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-keto-butane-1-diazonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C[N+]#N)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)C[N+]#N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N4O4/c1-15(19(26)13-23-22)24-20(27)18(12-16-8-4-2-5-9-16)25-21(28)29-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H-,24,25,27,28)/p+1/t15-,18-/m0/s1