O4-tert-butyl O1-(N,N'-dicyclohexylcarbamimidoyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate

Systemtic Name: O4-tert-butyl O1-(N,N'-dicyclohexylcarbamimidoyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate Openeye Name: O4-tert-butyl O1-(N,N'-dicyclohexylcarbamimidoyl) (2S)-2-(benzyloxycarbonylamino)butanedioate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)butanedioic acid O4-tert-butyl ester O1-[(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: 4-O-tert-butyl 1-O-(N,N'-dicyclohexylcarbamimidoyl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)succinic acid O4-tert-butyl ester O1-(N,N'-dicyclohexylamidino) ester Formula: C29H43N3O6 MolecularWeight: 529.66822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)OC(=NC1CCCCC1)NC2CCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H](C(=O)OC(=NC1CCCCC1)NC2CCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H43N3O6/c1-29(2,3)38-25(33)19-24(32-28(35)36-20-21-13-7-4-8-14-21)26(34)37-27(30-22-15-9-5-10-16-22)31-23-17-11-6-12-18-23/h4,7-8,13-14,22-24H,5-6,9-12,15-20H2,1-3H3,(H,30,31)(H,32,35)/t24-/m0/s1