(phenylmethyl) N-[(18S,23S)-3,14,17,24-tetrakis(oxidanylidene)-18-(phenylmethoxycarbonylamino)-1,4,8,13,16-pentazacyclotetracos-23-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(18S,23S)-3,14,17,24-tetrakis(oxidanylidene)-18-(phenylmethoxycarbonylamino)-1,4,8,13,16-pentazacyclotetracos-23-yl]carbamate Openeye Name: benzyl N-[(18S,23S)-18-(benzyloxycarbonylamino)-3,14,17,24-tetraoxo-1,4,8,13,16-pentazacyclotetracos-23-yl]carbamate CAS Name: N-[(18S,23S)-3,14,17,24-tetraoxo-18-(phenylmethoxycarbonylamino)-1,4,8,13,16-pentazacyclotetracos-23-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(18S,23S)-3,14,17,24-tetraoxo-18-(phenylmethoxycarbonylamino)-1,4,8,13,16-pentazacyclotetracos-23-yl]carbamate Traditional Name: N-[(18S,23S)-18-(benzyloxycarbonylamino)-3,14,17,24-tetraketo-1,4,8,13,16-pentazacyclotetracos-23-yl]carbamic acid benzyl ester Formula: C35H49N7O8 MolecularWeight: 695.80566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(C1)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H](C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC(=O)[C@H](C1)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C35H49N7O8/c43-30-22-39-32(45)28(41-34(47)49-24-26-12-3-1-4-13-26)16-7-8-17-29(42-35(48)50-25-27-14-5-2-6-15-27)33(46)40-23-31(44)38-21-11-19-36-18-9-10-20-37-30/h1-6,12-15,28-29,36H,7-11,16-25H2,(H,37,43)(H,38,44)(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t28-,29-/m0/s1