tert-butyl N-[(2S)-1-[[(1R,2S)-1-[(4R,7S)-5,8-bis(oxidanylidene)-7-propan-2-yl-12,15,18,21-tetraoxa-3,6,9-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-4-yl]-1-oxidanyl-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(1R,2S)-1-[(4R,7S)-5,8-bis(oxidanylidene)-7-propan-2-yl-12,15,18,21-tetraoxa-3,6,9-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-4-yl]-1-oxidanyl-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-2-[(4R,7S)-7-isopropyl-5,8-dioxo-12,15,18,21-tetraoxa-3,6,9-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-4-yl]ethyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(1R,2S)-1-[(4R,7S)-5,8-dioxo-7-propan-2-yl-12,15,18,21-tetraoxa-3,6,9-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-4-yl]-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(1R,2S)-1-[(4R,7S)-5,8-dioxo-7-propan-2-yl-12,15,18,21-tetraoxa-3,6,9-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-4-yl]-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-2-[(4R,7S)-7-isopropyl-5,8-diketo-12,15,18,21-tetraoxa-3,6,9-triazabicyclo[20.2.2]hexacosa-1(24),22,25-trien-4-yl]ethyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C41H63N5O10 MolecularWeight: 785.96642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NCCOCCOCCOCCOC2=CC=C(CNC(C(=O)N1)C(C(CC3=CC=CC=C3)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C)O)C=C2

Isomeric SMILES

CC(C)[C@H]1C(=O)NCCOCCOCCOCCOC2=CC=C(CN[C@@H](C(=O)N1)[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)O)C=C2

InChI

InChI=1S/C41H63N5O10/c1-27(2)33-37(48)42-17-18-52-19-20-53-21-22-54-23-24-55-31-15-13-30(14-16-31)26-43-35(39(50)45-33)36(47)32(25-29-11-9-8-10-12-29)44-38(49)34(28(3)4)46-40(51)56-41(5,6)7/h8-16,27-28,32-36,43,47H,17-26H2,1-7H3,(H,42,48)(H,44,49)(H,45,50)(H,46,51)/t32-,33-,34-,35+,36+/m0/s1