tert-butyl N-[(3S,7S,10S)-7-methyl-3-(2-methylpropyl)-6-oxidanyl-2,5,9-tris(oxidanylidene)-1,4,8-triazacyclotridec-10-yl]carbamate

Systemtic Name: tert-butyl N-[(3S,7S,10S)-7-methyl-3-(2-methylpropyl)-6-oxidanyl-2,5,9-tris(oxidanylidene)-1,4,8-triazacyclotridec-10-yl]carbamate Openeye Name: tert-butyl N-[(3S,7S,10S)-6-hydroxy-3-isobutyl-7-methyl-2,5,9-trioxo-1,4,8-triazacyclotridec-10-yl]carbamate CAS Name: N-[(3S,7S,10S)-6-hydroxy-7-methyl-3-(2-methylpropyl)-2,5,9-trioxo-1,4,8-triazacyclotridec-10-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,7S,10S)-6-hydroxy-7-methyl-3-(2-methylpropyl)-2,5,9-trioxo-1,4,8-triazacyclotridec-10-yl]carbamate Traditional Name: N-[(3S,7S,10S)-6-hydroxy-3-isobutyl-2,5,9-triketo-7-methyl-1,4,8-triazacyclotridec-10-yl]carbamic acid tert-butyl ester Formula: C20H36N4O6 MolecularWeight: 428.52304

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(C(=O)NCCCC(C(=O)N1)NC(=O)OC(C)(C)C)CC(C)C)O

Isomeric SMILES

C[C@H]1C(C(=O)N[C@H](C(=O)NCCC[C@@H](C(=O)N1)NC(=O)OC(C)(C)C)CC(C)C)O

InChI

InChI=1S/C20H36N4O6/c1-11(2)10-14-16(26)21-9-7-8-13(24-19(29)30-20(4,5)6)17(27)22-12(3)15(25)18(28)23-14/h11-15,25H,7-10H2,1-6H3,(H,21,26)(H,22,27)(H,23,28)(H,24,29)/t12-,13-,14-,15?/m0/s1