(phenylmethyl) N-[(2S)-2,6-bis(azanyl)hexanoyl]-N-phenylmethoxycarbonyl-carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-2,6-bis(azanyl)hexanoyl]-N-phenylmethoxycarbonyl-carbamate Openeye Name: benzyl N-benzyloxycarbonyl-N-[(2S)-2,6-diaminohexanoyl]carbamate CAS Name: N-[(2S)-2,6-diamino-1-oxohexyl]-N-phenylmethoxycarbonylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-2,6-diaminohexanoyl]-N-phenylmethoxycarbonylcarbamate Traditional Name: N-carbobenzoxy-N-[(2S)-2,6-diaminohexanoyl]carbamic acid benzyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(=O)C(CCCCN)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(=O)[C@H](CCCCN)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O5/c23-14-8-7-13-19(24)20(26)25(21(27)29-15-17-9-3-1-4-10-17)22(28)30-16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16,23-24H2/t19-/m0/s1