2-[(2S,5R,8S,11S)-11-[5-[bis(azanyl)methylideneamino]pentan-2-yl]-8-[4-[(6-diazenylpyridin-3-yl)carbonylamino]butyl]-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid; 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoic acid; N-[(2R,3R,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]pyridine-4-carboxamide; technetium

Systemtic Name: 2-[(2S,5R,8S,11S)-11-[5-[bis(azanyl)methylideneamino]pentan-2-yl]-8-[4-[(6-diazenylpyridin-3-yl)carbonylamino]butyl]-3,6,9,12,15-pentakis(oxidanylidene)-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]ethanoic acid; 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoic acid; N-[(2R,3R,4S,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]pyridine-4-carboxamide; technetium Openeye Name: 2-[(2S,5R,8S,11S)-5-benzyl-8-[4-[(6-diazenylpyridine-3-carbonyl)amino]butyl]-11-(4-guanidino-1-methyl-butyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; 2-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]acetic acid; N-[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]pyridine-4-carboxamide; technetium CAS Name: 2-[(2S,5R,8S,11S)-11-[5-(diaminomethylideneamino)pentan-2-yl]-8-[4-[[(6-diazenyl-3-pyridinyl)-oxomethyl]amino]butyl]-3,6,9,12,15-pentaoxo-5-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid; N-[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]-4-pyridinecarboxamide; technetium IUPAC Name: 2-[(2S,5R,8S,11S)-5-benzyl-11-[5-(diaminomethylideneamino)pentan-2-yl]-8-[4-[(6-diazenylpyridine-3-carbonyl)amino]butyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid; N-[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]pyridine-4-carboxamide; technetium Traditional Name: 2-[(2S,5R,8S,11S)-5-benzyl-8-[4-[(6-diazenylnicotinoyl)amino]butyl]-11-(4-guanidino-1-methyl-butyl)-3,6,9,12,15-pentaketo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid; 2-[(2-hydroxy-1,1-dimethylol-ethyl)amino]acetic acid; N-[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]isonicotinamide; technetium Formula: C53H79N15O19Tc MolecularWeight: 1328.190676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN=C(N)N)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)C2=CN=C(C=C2)N=N)CC3=CC=CC=C3)CC(=O)O.C1=CN=CC=C1C(=O)NCC(C(C(C(CO)O)O)O)O.C(C(=O)O)NC(CO)(CO)CO.[Tc]

Isomeric SMILES

CC(CCCN=C(N)N)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCNC(=O)C2=CN=C(C=C2)N=N)CC3=CC=CC=C3)CC(=O)O.C1=CN=CC=C1C(=O)NC[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O.C(C(=O)O)NC(CO)(CO)CO.[Tc]

InChI

InChI=1S/C35H48N12O8.C12H18N2O6.C6H13NO5.Tc/c1-20(8-7-15-40-35(36)37)29-34(55)42-19-27(48)43-25(17-28(49)50)33(54)45-24(16-21-9-3-2-4-10-21)32(53)44-23(31(52)46-29)11-5-6-14-39-30(51)22-12-13-26(47-38)41-18-22;15-6-9(17)11(19)10(18)8(16)5-14-12(20)7-1-3-13-4-2-7;8-2-6(3-9,4-10)7-1-5(11)12;/h2-4,9-10,12-13,18,20,23-25,29,38H,5-8,11,14-17,19H2,1H3,(H,39,51)(H,42,55)(H,43,48)(H,44,53)(H,45,54)(H,46,52)(H,49,50)(H4,36,37,40);1-4,8-11,15-19H,5-6H2,(H,14,20);7-10H,1-4H2,(H,11,12);/t20?,23-,24+,25-,29-;8-,9-,10-,11+;;/m01../s1