(phenylmethyl) N-[(5S)-5-azanyl-6-[(2S,4S)-4-azido-2-cyano-pyrrolidin-1-yl]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[(5S)-5-azanyl-6-[(2S,4S)-4-azido-2-cyano-pyrrolidin-1-yl]-6-oxidanylidene-hexyl]carbamate Openeye Name: benzyl N-[(5S)-5-amino-6-[(2S,4S)-4-azido-2-cyano-pyrrolidin-1-yl]-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-5-amino-6-[(2S,4S)-4-azido-2-cyano-1-pyrrolidinyl]-6-oxohexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(5S)-5-amino-6-[(2S,4S)-4-azido-2-cyanopyrrolidin-1-yl]-6-oxohexyl]carbamate Traditional Name: N-[(5S)-5-amino-6-[(2S,4S)-4-azido-2-cyano-pyrrolidino]-6-keto-hexyl]carbamic acid benzyl ester Formula: C19H25N7O3 MolecularWeight: 399.4469

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C#N)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)N)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H](CN([C@@H]1C#N)C(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)N)N=[N+]=[N-]

InChI

InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/s1