About 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium
2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium (PubChem CID 158915912) has the molecular formula C246H371N61O95Y-2
and a molecular weight of 5791.91 g/mol. Its IUPAC name is 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium.
Frequently Asked Questions
What is the IUPAC name of 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium?
The IUPAC name of 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium (CID 158915912) is 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium.
What is the SMILES notation for 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium?
The canonical SMILES for 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium is CC(C)(CC(=O)O)NC(=O)Cn1ccnc1CN(CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(OCc2cn(CCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)nn2)cc1.CC(CC(=O)O)(CC(=O)O)NC(=O)CN(CC(=O)NC(CC(=O)O)(CC(=O)O)CC(=O)O)C(=O)Cn1ccnc1CN(CCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)Cc1ccc(OCc2cn(CCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)nn2)cc1.O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCN(Cc1ccc(OCc2cn(CCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)nn2)cc1)Cc1nccn1CC(=O)N(CC(=O)O)CC(=O)O)C(=O)O)C(=O)O.O=C=O.O=C=O.O=C=O.[CH2-]CCCCNC(=O)[C@H](CCCCN(Cc1nccn1CC(=O)O)Cc1nccn1CC(=O)O)CC(=O)[C@@H](N)CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.[CH2-]CCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O.[Y].
What is the InChIKey of 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium?
The InChIKey is NFYRRIRDTXXYNJ-MAHAYQMNSA-N. The full InChI is InChI=1S/C70H103N17O29.C58H89N15O19.C57H85N15O21.C46H75N12O13.C12H19N2O7.3CO2.Y/c1-69(30-58(95)96,31-59(97)98)76-54(90)39-86(40-55(91)77-70(32-60(99)100,33-61(101)102)34-62(103)104)56(92)41-85-21-18-71-51(85)37-84(19-6-2-3-9-52(88)72-16-5-4-8-49(66(111)112)74-68(115)75-50(67(113)114)14-15-57(93)94)35-46-10-12-48(13-11-46)116-45-47-36-87(79-78-47)20-7-17-73-53(89)38-80-22-24-81(42-63(105)106)26-28-83(44-65(109)110)29-27-82(25-23-80)43-64(107)108;1-58(2,31-51(79)80)64-49(76)36-72-22-19-59-46(72)34-71(20-7-3-4-10-47(74)60-17-6-5-9-44(55(87)88)62-57(91)63-45(56(89)90)15-16-50(77)78)32-41-11-13-43(14-12-41)92-40-42-33-73(66-65-42)21-8-18-61-48(75)35-67-23-25-68(37-52(81)82)27-29-70(39-54(85)86)30-28-69(26-24-67)38-53(83)84;73-46(59-15-4-3-7-43(55(88)89)61-57(92)62-44(56(90)91)13-14-49(76)77)8-2-1-5-18-69(31-45-58-17-20-70(45)33-48(75)71(37-53(84)85)38-54(86)87)29-40-9-11-42(12-10-40)93-39-41-30-72(64-63-41)19-6-16-60-47(74)32-65-21-23-66(34-50(78)79)25-27-68(36-52(82)83)28-26-67(24-22-65)35-51(80)81;1-2-3-6-12-51-46(71)35(9-5-8-15-56(27-38-48-13-16-57(38)33-44(67)68)28-39-49-14-17-58(39)34-45(69)70)26-37(59)36(47)10-4-7-11-50-40(60)29-52-18-20-53(30-41(61)62)22-24-55(32-43(65)66)25-23-54(21-19-52)31-42(63)64;1-2-3-4-7(10(17)18)13-12(21)14-8(11(19)20)5-6-9(15)16;3*2-1-3;/h10-13,18,21,36,49-50H,2-9,14-17,19-20,22-35,37-45H2,1H3,(H,72,88)(H,73,89)(H,76,90)(H,77,91)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H2,74,75,115);11-14,19,22,33,44-45H,3-10,15-18,20-21,23-32,34-40H2,1-2H3,(H,60,74)(H,61,75)(H,64,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H2,62,63,91);9-12,17,20,30,43-44H,1-8,13-16,18-19,21-29,31-39H2,(H,59,73)(H,60,74)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H2,61,62,92);13-14,16-17,35-36H,1-12,15,18-34,47H2,(H,50,60)(H,51,71)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70);7-8H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21);;;;/q;;;2*-1;;;;/t49-,50-;44-,45-;43-,44-;35-,36+;7-,8-;;;;/m00010..../s1.
What are the key properties of 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium?
2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium has a molecular weight of 5791.91 g/mol, XLogP of -8.32, 184 rotatable bonds, 54 hydrogen bond donors, and 101 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[(5S,8R)-5-amino-12-[bis[[1-(carboxymethyl)imidazol-2-yl]methyl]amino]-6-oxo-8-(pentylcarbamoyl)dodecyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;(2S)-2-[[(1S)-5-[6-[[1-[2-[bis(carboxymethyl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid;tris(carbon dioxide);(2S)-2-[[(1S)-1-carboxy-5-[6-[[1-[2-[(1-carboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]imidazol-2-yl]methyl-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]hexanoylamino]pentyl]carbamoylamino]pentanedioic acid;3-[[2-[[2-[2-[[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]-[[4-[[1-[3-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propyl]triazol-4-yl]methoxy]phenyl]methyl]amino]methyl]imidazol-1-yl]acetyl]-[2-[(1,3-dicarboxy-2-methylpropan-2-yl)amino]-2-oxoethyl]amino]acetyl]amino]-3-(carboxymethyl)pentanedioic acid;(2S)-2-[[(1S)-1-carboxypentyl]carbamoylamino]pentanedioic acid;yttrium is sourced from PubChem (CID 158915912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).