O2-[(3S,5R,7S,8S)-9-[(E,2S)-2-azido-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-5-oxidanylidene-pent-3-enyl]sulfanyl-7-[tert-butyl(dimethyl)silyl]oxy-2,2,5,8-tetramethyl-9-oxidanylidene-nonan-3-yl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O2-[(3S,5R,7S,8S)-9-[(E,2S)-2-azido-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-5-oxidanylidene-pent-3-enyl]sulfanyl-7-[tert-butyl(dimethyl)silyl]oxy-2,2,5,8-tetramethyl-9-oxidanylidene-nonan-3-yl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O2-[(1S,3R,5S,6S)-7-[(E,2S)-2-azido-5-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-methoxycarbonyl-2-methyl-butyl]-methyl-amino]-1-methyl-2-oxo-ethyl]-methyl-amino]-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]amino]-4-methyl-5-oxo-pent-3-enyl]sulfanyl-1-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-7-oxo-heptyl] O1-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O2-[(3S,5R,7S,8S)-9-[[(E,2S)-2-azido-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-5-oxopent-3-enyl]thio]-7-[tert-butyl(dimethyl)silyl]oxy-2,2,5,8-tetramethyl-9-oxononan-3-yl] ester O1-tert-butyl ester IUPAC Name: 2-O-[(3S,5R,7S,8S)-9-[(E,2S)-2-azido-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-5-oxopent-3-enyl]sulfanyl-7-[tert-butyl(dimethyl)silyl]oxy-2,2,5,8-tetramethyl-9-oxononan-3-yl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O2-[(1S,3R,5S,6S)-7-[[(E,2S)-2-azido-5-[[(1S)-2-[[(1S)-2-[[(1S,2S)-1-carbomethoxy-2-methyl-butyl]-methyl-amino]-2-keto-1-methyl-ethyl]-methyl-amino]-2-keto-1-p-anisyl-ethyl]amino]-5-keto-4-methyl-pent-3-enyl]thio]-1-tert-butyl-5-[tert-butyl(dimethyl)silyl]oxy-7-keto-3,6-dimethyl-heptyl] ester O1-tert-butyl ester Formula: C57H95N7O12SSi MolecularWeight: 1130.5544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N(C)C(=O)C(C)N(C)C(=O)C(CC1=CC=C(C=C1)OC)NC(=O)C(=CC(CSC(=O)C(C)C(CC(C)CC(C(C)(C)C)OC(=O)C2CCCN2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC1=CC=C(C=C1)OC)NC(=O)/C(=C/[C@@H](CSC(=O)[C@@H](C)[C@H](C[C@H](C)C[C@@H](C(C)(C)C)OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])/C

InChI

InChI=1S/C57H95N7O12SSi/c1-22-36(3)47(52(69)73-19)63(17)49(66)39(6)62(16)50(67)43(33-40-25-27-42(72-18)28-26-40)59-48(65)37(4)32-41(60-61-58)34-77-53(70)38(5)45(76-78(20,21)57(13,14)15)30-35(2)31-46(55(7,8)9)74-51(68)44-24-23-29-64(44)54(71)75-56(10,11)12/h25-28,32,35-36,38-39,41,43-47H,22-24,29-31,33-34H2,1-21H3,(H,59,65)/b37-32+/t35-,36-,38-,39-,41-,43-,44-,45-,46-,47-/m0/s1