(3S,4R)-2-oxidanylidene-4-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-diazonium

Systemtic Name: (3S,4R)-2-oxidanylidene-4-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-diazonium Openeye Name: (3S,4R)-4-benzyloxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-oxo-pentane-1-diazonium CAS Name: (3S,4R)-2-oxo-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-phenylmethoxy-1-pentanediazonium IUPAC Name: (3S,4R)-2-oxo-4-phenylmethoxy-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentane-1-diazonium Traditional Name: (3S,4R)-4-benzoxy-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2-keto-pentane-1-diazonium Formula: C29H31N4O5+ MolecularWeight: 515.58024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C[N+]#N)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]([C@@H](C(=O)C[N+]#N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H30N4O5/c1-21(37-19-23-13-7-3-8-14-23)27(26(34)18-31-30)33-28(35)25(17-22-11-5-2-6-12-22)32-29(36)38-20-24-15-9-4-10-16-24/h2-16,21,25,27H,17-20H2,1H3,(H-,32,33,35,36)/p+1/t21-,25+,27+/m1/s1