2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)

C267H391CuN83O84+2 — CID 16745326

About 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)

2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+) (PubChem CID 16745326) has the molecular formula C267H391CuN83O84+2 and a molecular weight of 6171.49 g/mol. Its IUPAC name is 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+).

Molecular Properties

• Compound Name: 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)
• PubChem CID: 16745326
• Molecular Formula: C267H391CuN83O84+2
• Molecular Weight: 6171.49 g/mol
• Exact Mass: 6167.82
• IUPAC Name: 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)
• SMILES: [64Cu+2].[H]/N=C(\N)NCCC[C@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(CCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(CCC(=O)NC(=O)N(CCC(=O)NC(CCC(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(CC(N)C(=O)CCCCC2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(C)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)NC(CCC(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)NC1=O
• InChI: InChI=1S/C267H391N83O84.Cu/c1-139(285-86-11-4-27-166-242(417)330-179(111-141-45-61-149(352)62-46-141)252(427)338-187(120-212(377)378)226(401)301-128-203(367)311-158(234(409)320-166)35-19-94-293-260(271)272)194(118-156(268)195(359)42-3-2-26-165-241(416)329-178(110-140-43-59-148(351)60-44-140)251(426)337-186(119-211(375)376)225(400)300-127-202(366)310-157(233(408)319-165)34-18-93-292-259(269)270)350(101-85-201(365)309-174(223(398)290-91-16-9-32-171-247(422)335-184(116-146-55-71-154(357)72-56-146)257(432)343-192(125-217(387)388)231(406)306-133-208(372)316-163(239(414)325-171)40-24-99-298-265(281)282)76-81-197(361)287-88-13-6-29-168-244(419)332-181(113-143-49-65-151(354)66-50-143)254(429)340-189(122-214(381)382)228(403)303-130-205(369)313-160(236(411)322-168)37-21-96-295-262(275)276)267(434)345-200(364)84-78-176(318-210(374)135-346-102-104-347(136-219(391)392)106-108-349(138-221(395)396)109-107-348(105-103-346)137-220(393)394)249(424)328-177(250(425)327-175(224(399)291-92-17-10-33-172-248(423)336-185(117-147-57-73-155(358)74-58-147)258(433)344-193(126-218(389)390)232(407)307-134-209(373)317-164(240(415)326-172)41-25-100-299-266(283)284)77-82-198(362)288-89-14-7-30-169-245(420)333-182(114-144-51-67-152(355)68-52-144)255(430)341-190(123-215(383)384)229(404)304-131-206(370)314-161(237(412)323-169)38-22-97-296-263(277)278)79-83-199(363)308-173(222(397)289-90-15-8-31-170-246(421)334-183(115-145-53-69-153(356)70-54-145)256(431)342-191(124-216(385)386)230(405)305-132-207(371)315-162(238(413)324-170)39-23-98-297-264(279)280)75-80-196(360)286-87-12-5-28-167-243(418)331-180(112-142-47-63-150(353)64-48-142)253(428)339-188(121-213(379)380)227(402)302-129-204(368)312-159(235(410)321-167)36-20-95-294-261(273)274;/h43-74,139,156-194,285,351-358H,2-42,75-138,268H2,1H3,(H,286,360)(H,287,361)(H,288,362)(H,289,397)(H,290,398)(H,291,399)(H,300,400)(H,301,401)(H,302,402)(H,303,403)(H,304,404)(H,305,405)(H,306,406)(H,307,407)(H,308,363)(H,309,365)(H,310,366)(H,311,367)(H,312,368)(H,313,369)(H,314,370)(H,315,371)(H,316,372)(H,317,373)(H,318,374)(H,319,408)(H,320,409)(H,321,410)(H,322,411)(H,323,412)(H,324,413)(H,325,414)(H,326,415)(H,327,425)(H,328,424)(H,329,416)(H,330,417)(H,331,418)(H,332,419)(H,333,420)(H,334,421)(H,335,422)(H,336,423)(H,337,426)(H,338,427)(H,339,428)(H,340,429)(H,341,430)(H,342,431)(H,343,432)(H,344,433)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H4,269,270,292)(H4,271,272,293)(H4,273,274,294)(H4,275,276,295)(H4,277,278,296)(H4,279,280,297)(H4,281,282,298)(H4,283,284,299)(H,345,364,434);/q;+2/t139?,156?,157-,158-,159-,160-,161-,162-,163-,164-,165?,166-,167?,168-,169-,170-,171-,172-,173?,174?,175?,176?,177?,178+,179+,180+,181+,182+,183+,184+,185+,186-,187-,188-,189-,190-,191-,192-,193-,194?;/m1./s1/i;1+0
• InChIKey: UCOAYKAGBKJGGC-ISAOXVGDSA-N
• XLogP: -30.16
• TPSA: 2668.93 Ų
• H-Bond Donors: 97
• H-Bond Acceptors: 87
• Rotatable Bonds: 146
• Heavy Atoms: 435
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6171.49
LogP ≤ 5	-30.16
H-Bond Donors ≤ 5	97
H-Bond Acceptors ≤ 10	87

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)?

The IUPAC name of 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+) (CID 16745326) is 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+).

What is the SMILES notation for 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)?

The canonical SMILES for 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+) is [64Cu+2].[H]/N=C(\N)NCCC[C@H]1NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(CCCCNC(=O)CCC(NC(=O)CCC(NC(=O)C(CCC(=O)NC(=O)N(CCC(=O)NC(CCC(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(CC(N)C(=O)CCCCC2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(C)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)NC(CCC(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)C(=O)NCCCC[C@H]2NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)NC1=O.

What is the InChIKey of 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)?

The InChIKey is UCOAYKAGBKJGGC-ISAOXVGDSA-N. The full InChI is InChI=1S/C267H391N83O84.Cu/c1-139(285-86-11-4-27-166-242(417)330-179(111-141-45-61-149(352)62-46-141)252(427)338-187(120-212(377)378)226(401)301-128-203(367)311-158(234(409)320-166)35-19-94-293-260(271)272)194(118-156(268)195(359)42-3-2-26-165-241(416)329-178(110-140-43-59-148(351)60-44-140)251(426)337-186(119-211(375)376)225(400)300-127-202(366)310-157(233(408)319-165)34-18-93-292-259(269)270)350(101-85-201(365)309-174(223(398)290-91-16-9-32-171-247(422)335-184(116-146-55-71-154(357)72-56-146)257(432)343-192(125-217(387)388)231(406)306-133-208(372)316-163(239(414)325-171)40-24-99-298-265(281)282)76-81-197(361)287-88-13-6-29-168-244(419)332-181(113-143-49-65-151(354)66-50-143)254(429)340-189(122-214(381)382)228(403)303-130-205(369)313-160(236(411)322-168)37-21-96-295-262(275)276)267(434)345-200(364)84-78-176(318-210(374)135-346-102-104-347(136-219(391)392)106-108-349(138-221(395)396)109-107-348(105-103-346)137-220(393)394)249(424)328-177(250(425)327-175(224(399)291-92-17-10-33-172-248(423)336-185(117-147-57-73-155(358)74-58-147)258(433)344-193(126-218(389)390)232(407)307-134-209(373)317-164(240(415)326-172)41-25-100-299-266(283)284)77-82-198(362)288-89-14-7-30-169-245(420)333-182(114-144-51-67-152(355)68-52-144)255(430)341-190(123-215(383)384)229(404)304-131-206(370)314-161(237(412)323-169)38-22-97-296-263(277)278)79-83-199(363)308-173(222(397)289-90-15-8-31-170-246(421)334-183(115-145-53-69-153(356)70-54-145)256(431)342-191(124-216(385)386)230(405)305-132-207(371)315-162(238(413)324-170)39-23-98-297-264(279)280)75-80-196(360)286-87-12-5-28-167-243(418)331-180(112-142-47-63-150(353)64-48-142)253(428)339-188(121-213(379)380)227(402)302-129-204(368)312-159(235(410)321-167)36-20-95-294-261(273)274;/h43-74,139,156-194,285,351-358H,2-42,75-138,268H2,1H3,(H,286,360)(H,287,361)(H,288,362)(H,289,397)(H,290,398)(H,291,399)(H,300,400)(H,301,401)(H,302,402)(H,303,403)(H,304,404)(H,305,405)(H,306,406)(H,307,407)(H,308,363)(H,309,365)(H,310,366)(H,311,367)(H,312,368)(H,313,369)(H,314,370)(H,315,371)(H,316,372)(H,317,373)(H,318,374)(H,319,408)(H,320,409)(H,321,410)(H,322,411)(H,323,412)(H,324,413)(H,325,414)(H,326,415)(H,327,425)(H,328,424)(H,329,416)(H,330,417)(H,331,418)(H,332,419)(H,333,420)(H,334,421)(H,335,422)(H,336,423)(H,337,426)(H,338,427)(H,339,428)(H,340,429)(H,341,430)(H,342,431)(H,343,432)(H,344,433)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H4,269,270,292)(H4,271,272,293)(H4,273,274,294)(H4,275,276,295)(H4,277,278,296)(H4,279,280,297)(H4,281,282,298)(H4,283,284,299)(H,345,364,434);/q;+2/t139?,156?,157-,158-,159-,160-,161-,162-,163-,164-,165?,166-,167?,168-,169-,170-,171-,172-,173?,174?,175?,176?,177?,178+,179+,180+,181+,182+,183+,184+,185+,186-,187-,188-,189-,190-,191-,192-,193-,194?;/m1./s1/i;1+0.

What are the key properties of 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+)?

2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+) has a molecular weight of 6171.49 g/mol, XLogP of -30.16, 146 rotatable bonds, 97 hydrogen bond donors, and 87 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,8R,14S)-11-[6-amino-8-[[5-[[1-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-5-[[1-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-[4-[(5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]carbamoyl-[3-[[1,5-bis[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-9-[4-[(2R,5S,8R,14R)-14-(3-carbamimidamidopropyl)-8-(carboxymethyl)-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-5-oxodecyl]-8-(3-carbamimidamidopropyl)-14-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid;copper-64(2+) is sourced from PubChem (CID 16745326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).