(phenylmethyl) N-[(5S,8S)-5-(methylcarbamoyl)-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(5S,8S)-5-(methylcarbamoyl)-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]carbamate Openeye Name: benzyl N-[(5S,8S)-5-(methylcarbamoyl)-2,7-dioxo-1,6-diazacyclododec-8-yl]carbamate CAS Name: N-[(5S,8S)-5-(methylcarbamoyl)-2,7-dioxo-1,6-diazacyclododec-8-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(5S,8S)-5-(methylcarbamoyl)-2,7-dioxo-1,6-diazacyclododec-8-yl]carbamate Traditional Name: N-[(5S,8S)-2,7-diketo-5-(methylcarbamoyl)-1,6-diazacyclododec-8-yl]carbamic acid benzyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCC(=O)NCCCCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CNC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O5/c1-21-18(26)16-10-11-17(25)22-12-6-5-9-15(19(27)23-16)24-20(28)29-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,21,26)(H,22,25)(H,23,27)(H,24,28)/t15-,16-/m0/s1