2-[(E)-[[5-[3-[2-[[(3S,6R,7S)-6-(2-methylpropyl)-7-(oxidanylcarbamoyl)-5-oxidanylidene-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-3-yl]carbonylamino]ethanoylamino]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid; technetium-99

Systemtic Name: 2-[(E)-[[5-[3-[2-[[(3S,6R,7S)-6-(2-methylpropyl)-7-(oxidanylcarbamoyl)-5-oxidanylidene-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-3-yl]carbonylamino]ethanoylamino]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid; technetium-99 Openeye Name: 2-[(E)-[[5-[3-[[2-[[(3S,6R,7S)-7-(hydroxycarbamoyl)-6-isobutyl-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3-carbonyl]amino]acetyl]amino]propylcarbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid; technetium-99 CAS Name: 2-[(E)-[[5-[[3-[[2-[[[(3S,6R,7S)-7-[(hydroxyamino)-oxomethyl]-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-trien-3-yl]-oxomethyl]amino]-1-oxoethyl]amino]propylamino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid; technetium-99 IUPAC Name: 2-[(E)-[[5-[3-[[2-[[(3S,6R,7S)-7-(hydroxycarbamoyl)-6-(2-methylpropyl)-5-oxo-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3-carbonyl]amino]acetyl]amino]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid; technetium-99 Traditional Name: 2-[(E)-[[5-[3-[[2-[[(3S,6R,7S)-7-(hydroxycarbamoyl)-6-isobutyl-5-keto-11-oxa-4-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-3-carbonyl]amino]acetyl]amino]propylcarbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid; technetium-99 Formula: C38H48N8O10STc MolecularWeight: 907.806575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CCCOC2=CC=C(CC(NC1=O)C(=O)NCC(=O)NCCCNC(=O)C3=CN=C(C=C3)NN=CC4=CC=CC=C4S(=O)(=O)O)C=C2)C(=O)NO.[Tc]

Isomeric SMILES

CC(C)C[C@@H]1[C@H](CCCOC2=CC=C(C[C@H](NC1=O)C(=O)NCC(=O)NCCCNC(=O)C3=CN=C(C=C3)N/N=C/C4=CC=CC=C4S(=O)(=O)O)C=C2)C(=O)NO.[99Tc]

InChI

InChI=1S/C38H48N8O10S.Tc/c1-24(2)19-30-29(37(50)46-52)8-5-18-56-28-13-10-25(11-14-28)20-31(44-36(30)49)38(51)42-23-34(47)39-16-6-17-40-35(48)27-12-15-33(41-21-27)45-43-22-26-7-3-4-9-32(26)57(53,54)55;/h3-4,7,9-15,21-22,24,29-31,52H,5-6,8,16-20,23H2,1-2H3,(H,39,47)(H,40,48)(H,41,45)(H,42,51)(H,44,49)(H,46,50)(H,53,54,55);/b43-22+;/t29-,30+,31-;/m0./s1/i;1+1