(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))

C149H206N26O73S4Tc4 — CID 161083325

IUPAC(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))
SMILESC[C@H](C[S-])[N-]C(=O)[C@H](CC(=O)O)[N-]C(=O)[C@@H]([NH-])CCC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O.C[C@H](C[S-])[N-]C(=O)[C@H](CC(=O)O)[N-]C(=O)[C@@H]([NH-])CNC(=O)[C@@H](CC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)O)Cc1ccccc1.O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].[NH-][C@@H](CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)[N-][C@@H](CC(=O)O)C(=O)[N-][C@@H](C[S-])C(=O)O.[NH-][C@@H](CNC(=O)CC[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)O)C(=O)[N-][C@@H](CC(=O)O)C(=O)[N-][C@@H](C[S-])C(=O)O
InChIInChI=1S/C46H70N7O22S.C45H64N7O19S.C36H50N7O16S.C22H34N5O12S.4O.4Tc/c47-31(42(62)50-34(27-41(60)61)43(63)51-35(28-76)45(66)67)6-8-36(55)33(26-30-4-2-1-3-5-30)49-38(57)12-14-69-16-18-71-20-22-73-24-25-74-23-21-72-19-17-70-15-13-48-37(56)9-7-32(44(64)65)52-46(68)53-39(75-29-54)10-11-40(58)59;46-29(40(62)49-32(22-39(60)61)41(63)50-33(24-72)44(68)69)23-47-35(56)17-14-27(42(64)65)21-34(55)31(20-26-10-6-5-7-11-26)48-36(57)13-9-4-2-1-3-8-12-28(54)15-16-30(43(66)67)51-45(70)52-37(71-25-53)18-19-38(58)59;1-19(17-60)39-33(53)26(15-30(49)50)41-32(52)23(37)16-38-31(51)21(13-20-5-3-2-4-6-20)14-22(45)7-8-24(34(54)55)40-27(46)10-9-25(35(56)57)42-36(58)43-28(59-18-44)11-12-29(47)48;1-11(9-40)24-20(35)15(8-18(32)33)25-19(34)13(23)4-2-12(29)3-5-14(21(36)37)26-22(38)27-16(39-10-28)6-7-17(30)31;;;;;;;;/h1-5,29,31-35,39,47H,6-28H2,(H11,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65,66,67,68,76);5-7,10-11,25,27,29-33,37,46H,1-4,8-9,12-24H2,(H12,47,48,49,50,51,52,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,72);2-6,18-19,21,23-26,28,37H,7-17H2,1H3,(H11,38,39,40,41,42,43,46,47,48,49,50,51,52,53,54,55,56,57,58,60);10-11,13-16,23H,2-9H2,1H3,(H8,24,25,26,27,30,31,32,33,34,35,36,37,38,40);;;;;;;;/q4*-1;;;;;4*+4/p-12/t31-,32-,33-,34-,35-,39+;27-,29+,30+,31+,32+,33+,37-;19-,21-,23+,24+,25+,26+,28-;11-,13+,14+,15+,16-;;;;;;;;/m0111......../s1/i;;;;;;;;4*1+1
InChIKeyWWIUPXSPSQKSLT-PHDQXTSJSA-B
MW4053.29 g/mol
LogP1.47
Rot. Bonds138

About (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))

(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)) (PubChem CID 161083325) has the molecular formula C149H206N26O73S4Tc4 and a molecular weight of 4053.29 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)).

Molecular Properties

Compound Name(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))
PubChem CID161083325
Molecular FormulaC149H206N26O73S4Tc4
Molecular Weight4053.29 g/mol
Exact Mass4050.83
IUPAC Name(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))
SMILESC[C@H](C[S-])[N-]C(=O)[C@H](CC(=O)O)[N-]C(=O)[C@@H]([NH-])CCC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O.C[C@H](C[S-])[N-]C(=O)[C@H](CC(=O)O)[N-]C(=O)[C@@H]([NH-])CNC(=O)[C@@H](CC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)O)Cc1ccccc1.O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].[NH-][C@@H](CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)[N-][C@@H](CC(=O)O)C(=O)[N-][C@@H](C[S-])C(=O)O.[NH-][C@@H](CNC(=O)CC[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)O)C(=O)[N-][C@@H](CC(=O)O)C(=O)[N-][C@@H](C[S-])C(=O)O
InChIInChI=1S/C46H70N7O22S.C45H64N7O19S.C36H50N7O16S.C22H34N5O12S.4O.4Tc/c47-31(42(62)50-34(27-41(60)61)43(63)51-35(28-76)45(66)67)6-8-36(55)33(26-30-4-2-1-3-5-30)49-38(57)12-14-69-16-18-71-20-22-73-24-25-74-23-21-72-19-17-70-15-13-48-37(56)9-7-32(44(64)65)52-46(68)53-39(75-29-54)10-11-40(58)59;46-29(40(62)49-32(22-39(60)61)41(63)50-33(24-72)44(68)69)23-47-35(56)17-14-27(42(64)65)21-34(55)31(20-26-10-6-5-7-11-26)48-36(57)13-9-4-2-1-3-8-12-28(54)15-16-30(43(66)67)51-45(70)52-37(71-25-53)18-19-38(58)59;1-19(17-60)39-33(53)26(15-30(49)50)41-32(52)23(37)16-38-31(51)21(13-20-5-3-2-4-6-20)14-22(45)7-8-24(34(54)55)40-27(46)10-9-25(35(56)57)42-36(58)43-28(59-18-44)11-12-29(47)48;1-11(9-40)24-20(35)15(8-18(32)33)25-19(34)13(23)4-2-12(29)3-5-14(21(36)37)26-22(38)27-16(39-10-28)6-7-17(30)31;;;;;;;;/h1-5,29,31-35,39,47H,6-28H2,(H11,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65,66,67,68,76);5-7,10-11,25,27,29-33,37,46H,1-4,8-9,12-24H2,(H12,47,48,49,50,51,52,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,72);2-6,18-19,21,23-26,28,37H,7-17H2,1H3,(H11,38,39,40,41,42,43,46,47,48,49,50,51,52,53,54,55,56,57,58,60);10-11,13-16,23H,2-9H2,1H3,(H8,24,25,26,27,30,31,32,33,34,35,36,37,38,40);;;;;;;;/q4*-1;;;;;4*+4/p-12/t31-,32-,33-,34-,35-,39+;27-,29+,30+,31+,32+,33+,37-;19-,21-,23+,24+,25+,26+,28-;11-,13+,14+,15+,16-;;;;;;;;/m0111......../s1/i;;;;;;;;4*1+1
InChIKeyWWIUPXSPSQKSLT-PHDQXTSJSA-B
XLogP1.47
TPSA1594.69 Ų
H-Bond Donors30
H-Bond Acceptors61
Rotatable Bonds138
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004053.29
LogP ≤ 51.47
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1061

Analyze (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)) with MolForge

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Launch Full Analysis

Related Compounds

(2S)-14-[[(2S,5R)-8-[[(2S)-2-amino-3-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-5-carboxy-3,8-dioxo-1-phenyloctan-2-yl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamothioylamino]-5,14-dioxotetradecanoic acid
CID 160637226
(2S)-8-[[(4S)-7-[[2-benzyl-5-[4,7-bis(carboxymethyl)-10-(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]-4-oxopentanoyl]amino]-4-formyloxy-6-oxo-8-phenyloctanoyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoic acid
CID 59625110
(2S,7R)-7-benzyl-8-[[5-[[(2R,5S)-2-benzyl-5-[(2-methyl-5-nitrobenzoyl)amino]-4-oxo-6-phenylhexanoyl]amino]-4-oxopentyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5,8-dioxooctanoic acid;(2S)-8-[[(4S)-7-[[2-benzyl-4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4-formyloxy-6-oxo-8-phenyloctanoyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoic acid
CID 160574447
(2S)-8-[[(4S)-7-[[2-benzyl-4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4-formyloxy-6-oxo-8-phenyloctanoyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoic acid
CID 59625101
(2S)-2-[[(1S)-4-[[8-[[(2S)-1-[[(2S)-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2-aminoethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-8-oxooctyl]amino]-1-carboxy-4-oxobutyl]carbamoylamino]pentanedioic acid
CID 118501832
(2R,5S)-5-[[(2S)-2-amino-3-[[(2R,5S)-2-benzyl-5-[[(9S)-9-carboxy-9-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-6-oxononanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]propanoyl]amino]-2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)sulfanylmethyl]-4-oxoheptanedioic acid
CID 158775307
(2S)-2-[[(1S)-13-[[(2S,5R)-6-[[(2S)-2-amino-3-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]amino]-1-carboxy-4,13-dioxotridecyl]carbamoylamino]pentanedioic acid
CID 159096350
(2S)-14-[[(2S,5R)-6-[[(2S)-2-amino-3-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5,14-dioxotetradecanoic acid;bis((2R)-2-[[2-[[(2S)-3-[[(2R,5S)-2-benzyl-5-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-2-(methylamino)propanoyl]-methylazaniumylidene]-3-carboxypropanoyl]-methylamino]-3-hydroxy-3-oxopropane-1-thiolate);methane;oxotechnetium
CID 162270572
(2S)-10-[[(2S,5R)-5-[[[(2S)-2-amino-3-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]amino]methyl]-3-oxo-1,6-diphenylhexan-2-yl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5,10-dioxodecanoic acid
CID 158035324
(2R,5S)-5-[[(2S)-2-amino-3-[[(2R,5S)-2-benzyl-5-[13-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamothioylamino]butanoyl]amino]tridecanoylamino]-4-oxo-6-phenylhexanoyl]amino]propanoyl]amino]-2-[(ethyldisulfanyl)methyl]-4-oxoheptanedioic acid
CID 158180529
(2R)-2-[3-[2-[2-[5-[2-[2-[[(5S,8R)-8-acetyl-12-[[2-[2-[2-[[2-[2-[(7S)-7-carboxy-7-[6-[[(4S)-4-carboxy-4-(6-phenylhexanoylamino)butanoyl]amino]hexanoylamino]-4-oxoheptoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-methyl-6-oxododecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-9-[[(4S)-4-carboxy-4-(6-phenylhexanoylamino)butanoyl]amino]-4-oxononanoic acid
CID 159110742
(2S,7R)-7-benzyl-8-[[5-[[(2R,5S)-2-benzyl-5-[[2-[4,7-bis(carboxymethyl)-10-(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-4-oxo-6-phenylhexanoyl]amino]-4-oxopentyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5,8-dioxooctanoic acid;(2S)-8-[[(4S)-7-[[2-benzyl-5-[4,7-bis(carboxymethyl)-10-(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]-4-oxopentanoyl]amino]-4-formyloxy-6-oxo-8-phenyloctanoyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoic acid;(2S)-8-[[(4S)-7-[[2-benzyl-5-[2-[carboxymethyl-[2-[carboxymethyl(formyloxymethyl)amino]ethyl]amino]ethyl-(formyloxymethyl)amino]-4-oxopentanoyl]amino]-4-formyloxy-6-oxo-8-phenyloctanoyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoic acid;(2S)-8-[[(4S)-7-[[2-benzyl-4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4-formyloxy-6-oxo-8-phenyloctanoyl]amino]-2-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoic acid
CID 159986076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))?
The IUPAC name of (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)) (CID 161083325) is (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)).
What is the SMILES notation for (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))?
The canonical SMILES for (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)) is C[C@H](C[S-])[N-]C(=O)[C@H](CC(=O)O)[N-]C(=O)[C@@H]([NH-])CCC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O.C[C@H](C[S-])[N-]C(=O)[C@H](CC(=O)O)[N-]C(=O)[C@@H]([NH-])CNC(=O)[C@@H](CC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)O)Cc1ccccc1.O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].O=[99Tc+4].[NH-][C@@H](CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)[N-][C@@H](CC(=O)O)C(=O)[N-][C@@H](C[S-])C(=O)O.[NH-][C@@H](CNC(=O)CC[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)OC=O)C(=O)O)C(=O)O)C(=O)[N-][C@@H](CC(=O)O)C(=O)[N-][C@@H](C[S-])C(=O)O.
What is the InChIKey of (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))?
The InChIKey is WWIUPXSPSQKSLT-PHDQXTSJSA-B. The full InChI is InChI=1S/C46H70N7O22S.C45H64N7O19S.C36H50N7O16S.C22H34N5O12S.4O.4Tc/c47-31(42(62)50-34(27-41(60)61)43(63)51-35(28-76)45(66)67)6-8-36(55)33(26-30-4-2-1-3-5-30)49-38(57)12-14-69-16-18-71-20-22-73-24-25-74-23-21-72-19-17-70-15-13-48-37(56)9-7-32(44(64)65)52-46(68)53-39(75-29-54)10-11-40(58)59;46-29(40(62)49-32(22-39(60)61)41(63)50-33(24-72)44(68)69)23-47-35(56)17-14-27(42(64)65)21-34(55)31(20-26-10-6-5-7-11-26)48-36(57)13-9-4-2-1-3-8-12-28(54)15-16-30(43(66)67)51-45(70)52-37(71-25-53)18-19-38(58)59;1-19(17-60)39-33(53)26(15-30(49)50)41-32(52)23(37)16-38-31(51)21(13-20-5-3-2-4-6-20)14-22(45)7-8-24(34(54)55)40-27(46)10-9-25(35(56)57)42-36(58)43-28(59-18-44)11-12-29(47)48;1-11(9-40)24-20(35)15(8-18(32)33)25-19(34)13(23)4-2-12(29)3-5-14(21(36)37)26-22(38)27-16(39-10-28)6-7-17(30)31;;;;;;;;/h1-5,29,31-35,39,47H,6-28H2,(H11,48,49,50,51,52,53,56,57,58,59,60,61,62,63,64,65,66,67,68,76);5-7,10-11,25,27,29-33,37,46H,1-4,8-9,12-24H2,(H12,47,48,49,50,51,52,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,72);2-6,18-19,21,23-26,28,37H,7-17H2,1H3,(H11,38,39,40,41,42,43,46,47,48,49,50,51,52,53,54,55,56,57,58,60);10-11,13-16,23H,2-9H2,1H3,(H8,24,25,26,27,30,31,32,33,34,35,36,37,38,40);;;;;;;;/q4*-1;;;;;4*+4/p-12/t31-,32-,33-,34-,35-,39+;27-,29+,30+,31+,32+,33+,37-;19-,21-,23+,24+,25+,26+,28-;11-,13+,14+,15+,16-;;;;;;;;/m0111......../s1/i;;;;;;;;4*1+1.
What are the key properties of (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+))?
(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)) has a molecular weight of 4053.29 g/mol, XLogP of 1.47, 138 rotatable bonds, 30 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(2R,7S)-2-benzyl-7-carboxy-7-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]-4-oxoheptanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;(2R)-2-[(2S)-2-[(2S)-2-azanidyl-3-[[(4R,7S)-4-carboxy-7-[[(13S)-13-carboxy-13-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-10-oxotridecanoyl]amino]-6-oxo-8-phenyloctanoyl]amino]propanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,6S)-2-azanidyl-6-[3-[2-[2-[2-[2-[2-[2-[[(4S)-4-carboxy-4-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-5-oxo-7-phenylheptanoyl]azanidyl-3-carboxypropanoyl]azanidyl-3-hydroxy-3-oxopropane-1-thiolate;(2R)-2-[(2S)-2-[(2S,8S)-2-azanidyl-8-carboxy-8-[[(1R)-3-carboxy-1-formyloxypropyl]carbamoylamino]-5-oxooctanoyl]azanidyl-3-carboxypropanoyl]azanidylpropane-1-thiolate;tetrakis(oxo(99Tc)technetium-99(4+)) is sourced from PubChem (CID 161083325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).