(4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride

C275H422N34O98S9 — CID 159481740

About (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride

(4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride (PubChem CID 159481740) has the molecular formula C275H422N34O98S9 and a molecular weight of 6064.16 g/mol. Its IUPAC name is (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride.

Molecular Properties

• Compound Name: (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride
• PubChem CID: 159481740
• Molecular Formula: C275H422N34O98S9
• Molecular Weight: 6064.16 g/mol
• Exact Mass: 6059.68
• IUPAC Name: (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride
• SMILES: CCCC(=O)OCN(C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](C)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NCC(=O)OCCSSC[C@@H](NC(=O)[C@@H](CC(=O)O)CC(=O)[C@@H](CC(=O)O)NC(=O)Cc2ccc(CNC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)C(=O)O)cs1)C(C)C.CCCC(=O)OCN(C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](C)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSSC[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)[C@@H](CCC(=O)O)NC(C)=O)C(=O)O)cs1)C(C)C.CCCC(=O)OCN(C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC(=O)O)NC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)C(C)CC)C(=O)O)cs1)C(C)C.C[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)Cc1ccc(CCC(=O)CCCCC[C@H](CC(=O)CCCCC(=O)O)C(=O)O)cc1.O=C=O.O=C=O.O=C=O.[H][2H].[H][2H].[H][2H]
• InChI: InChI=1S/C79H115N11O24S3.C72H111N11O23S3.C67H105N9O22S3.C54H85N3O23.3CO2.3H2/c1-9-16-69(101)114-45-90(75(106)56(47(5)10-2)39-64(93)61-18-12-14-30-89(61)8)62(46(3)4)34-49(7)74-87-59(43-115-74)73(105)84-54(35-50-24-26-55(91)27-25-50)33-48(6)71(103)82-42-70(102)113-31-32-116-117-44-60(77(109)110)86-72(104)53(38-67(97)98)37-63(92)58(40-68(99)100)85-65(94)36-51-20-22-52(23-21-51)41-83-78(111)80-28-13-11-17-57(76(107)108)88-79(112)81-29-15-19-66(95)96;1-11-19-62(92)105-40-83(67(96)50(43(7)13-3)35-58(87)55-21-15-17-29-82(55)10)56(41(4)5)37-59(106-45(9)84)66-77-53(38-107-66)65(95)75-47(33-46-23-25-48(85)26-24-46)32-44(8)63(93)80-81-72(103)104-30-31-108-109-39-54(69(99)100)76-64(94)49(42(6)12-2)34-57(86)52(36-61(90)91)79-71(102)73-27-16-14-20-51(68(97)98)78-70(101)74-28-18-22-60(88)89;1-10-14-58(87)98-36-76(65(93)46(38(5)11-2)31-53(81)50-15-12-13-24-75(50)9)51(37(3)4)28-40(7)64-72-48(34-99-64)63(92)70-44(29-42-16-19-45(79)20-17-42)27-39(6)61(90)73-74-67(96)97-25-26-100-101-35-49(66(94)95)71-62(91)43(30-52(80)47(69-41(8)78)21-23-57(85)86)18-22-56(84)68-32-54(82)59(88)60(89)55(83)33-77;1-31(11-20-45(68)55-27-41(64)49(74)51(76)43(66)29-58)23-40(63)39(19-22-48(72)73)57-53(78)34(17-21-46(69)56-28-42(65)50(75)52(77)44(67)30-59)25-38(62)24-33-14-12-32(13-15-33)16-18-36(60)8-4-2-3-7-35(54(79)80)26-37(61)9-5-6-10-47(70)71;3*2-1-3;;;/h20-27,43,46-49,53-54,56-58,60-62,91H,9-19,28-42,44-45H2,1-8H3,(H,82,103)(H,84,105)(H,85,94)(H,86,104)(H,95,96)(H,97,98)(H,99,100)(H,107,108)(H,109,110)(H2,80,83,111)(H2,81,88,112);23-26,38,41-44,47,49-52,54-56,59,85H,11-22,27-37,39-40H2,1-10H3,(H,75,95)(H,76,94)(H,80,93)(H,81,103)(H,88,89)(H,90,91)(H,97,98)(H,99,100)(H2,73,79,102)(H2,74,78,101);16-17,19-20,34,37-40,43-44,46-47,49-51,54-55,59-60,77,79,82-83,88-89H,10-15,18,21-33,35-36H2,1-9H3,(H,68,84)(H,69,78)(H,70,92)(H,71,91)(H,73,90)(H,74,96)(H,85,86)(H,94,95);12-15,31,34-35,39,41-44,49-52,58-59,64-67,74-77H,2-11,16-30H2,1H3,(H,55,68)(H,56,69)(H,57,78)(H,70,71)(H,72,73)(H,79,80);;;;3*1H/t47?,48-,49+,53+,54+,56-,57-,58+,60+,61+,62+;42?,43?,44-,47+,49-,50-,51-,52-,54-,55+,56+,59+;38?,39-,40+,43+,44+,46-,47+,49+,50+,51+,54-,55+,59+,60+;31-,34-,35-,39-,41+,42+,43-,44-,49-,50-,51-,52-;;;;;;/m0001....../s1/i;;;;;;;3*1+1
• InChIKey: LXBZNWLNRLLBFZ-ATZBLEGPSA-N
• XLogP: 13.26
• TPSA: 2077.96 Ų
• H-Bond Donors: 57
• H-Bond Acceptors: 99
• Rotatable Bonds: 201
• Heavy Atoms: 416
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	6064.16
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	57
H-Bond Acceptors ≤ 10	99

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride?

The IUPAC name of (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride (CID 159481740) is (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride.

What is the SMILES notation for (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride?

The canonical SMILES for (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride is CCCC(=O)OCN(C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](C)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NCC(=O)OCCSSC[C@@H](NC(=O)[C@@H](CC(=O)O)CC(=O)[C@@H](CC(=O)O)NC(=O)Cc2ccc(CNC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)C(=O)O)cs1)C(C)C.CCCC(=O)OCN(C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](C)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSSC[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)[C@@H](CCC(=O)O)NC(C)=O)C(=O)O)cs1)C(C)C.CCCC(=O)OCN(C(=O)[C@@H](CC(=O)[C@H]1CCCCN1C)C(C)CC)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)cc2)C[C@H](C)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC(=O)O)NC(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)C(C)CC)C(=O)O)cs1)C(C)C.C[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)Cc1ccc(CCC(=O)CCCCC[C@H](CC(=O)CCCCC(=O)O)C(=O)O)cc1.O=C=O.O=C=O.O=C=O.[H][2H].[H][2H].[H][2H].

What is the InChIKey of (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride?

The InChIKey is LXBZNWLNRLLBFZ-ATZBLEGPSA-N. The full InChI is InChI=1S/C79H115N11O24S3.C72H111N11O23S3.C67H105N9O22S3.C54H85N3O23.3CO2.3H2/c1-9-16-69(101)114-45-90(75(106)56(47(5)10-2)39-64(93)61-18-12-14-30-89(61)8)62(46(3)4)34-49(7)74-87-59(43-115-74)73(105)84-54(35-50-24-26-55(91)27-25-50)33-48(6)71(103)82-42-70(102)113-31-32-116-117-44-60(77(109)110)86-72(104)53(38-67(97)98)37-63(92)58(40-68(99)100)85-65(94)36-51-20-22-52(23-21-51)41-83-78(111)80-28-13-11-17-57(76(107)108)88-79(112)81-29-15-19-66(95)96;1-11-19-62(92)105-40-83(67(96)50(43(7)13-3)35-58(87)55-21-15-17-29-82(55)10)56(41(4)5)37-59(106-45(9)84)66-77-53(38-107-66)65(95)75-47(33-46-23-25-48(85)26-24-46)32-44(8)63(93)80-81-72(103)104-30-31-108-109-39-54(69(99)100)76-64(94)49(42(6)12-2)34-57(86)52(36-61(90)91)79-71(102)73-27-16-14-20-51(68(97)98)78-70(101)74-28-18-22-60(88)89;1-10-14-58(87)98-36-76(65(93)46(38(5)11-2)31-53(81)50-15-12-13-24-75(50)9)51(37(3)4)28-40(7)64-72-48(34-99-64)63(92)70-44(29-42-16-19-45(79)20-17-42)27-39(6)61(90)73-74-67(96)97-25-26-100-101-35-49(66(94)95)71-62(91)43(30-52(80)47(69-41(8)78)21-23-57(85)86)18-22-56(84)68-32-54(82)59(88)60(89)55(83)33-77;1-31(11-20-45(68)55-27-41(64)49(74)51(76)43(66)29-58)23-40(63)39(19-22-48(72)73)57-53(78)34(17-21-46(69)56-28-42(65)50(75)52(77)44(67)30-59)25-38(62)24-33-14-12-32(13-15-33)16-18-36(60)8-4-2-3-7-35(54(79)80)26-37(61)9-5-6-10-47(70)71;3*2-1-3;;;/h20-27,43,46-49,53-54,56-58,60-62,91H,9-19,28-42,44-45H2,1-8H3,(H,82,103)(H,84,105)(H,85,94)(H,86,104)(H,95,96)(H,97,98)(H,99,100)(H,107,108)(H,109,110)(H2,80,83,111)(H2,81,88,112);23-26,38,41-44,47,49-52,54-56,59,85H,11-22,27-37,39-40H2,1-10H3,(H,75,95)(H,76,94)(H,80,93)(H,81,103)(H,88,89)(H,90,91)(H,97,98)(H,99,100)(H2,73,79,102)(H2,74,78,101);16-17,19-20,34,37-40,43-44,46-47,49-51,54-55,59-60,77,79,82-83,88-89H,10-15,18,21-33,35-36H2,1-9H3,(H,68,84)(H,69,78)(H,70,92)(H,71,91)(H,73,90)(H,74,96)(H,85,86)(H,94,95);12-15,31,34-35,39,41-44,49-52,58-59,64-67,74-77H,2-11,16-30H2,1H3,(H,55,68)(H,56,69)(H,57,78)(H,70,71)(H,72,73)(H,79,80);;;;3*1H/t47?,48-,49+,53+,54+,56-,57-,58+,60+,61+,62+;42?,43?,44-,47+,49-,50-,51-,52-,54-,55+,56+,59+;38?,39-,40+,43+,44+,46-,47+,49+,50+,51+,54-,55+,59+,60+;31-,34-,35-,39-,41+,42+,43-,44-,49-,50-,51-,52-;;;;;;/m0001....../s1/i;;;;;;;3*1+1.

What are the key properties of (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride?

(4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride has a molecular weight of 6064.16 g/mol, XLogP of 13.26, 201 rotatable bonds, 57 hydrogen bond donors, and 99 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R)-4-acetamido-7-[[(1S)-2-[2-[[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-5,10-dioxo-10-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]decanoic acid;(3S,6S)-6-[[(1R)-2-[2-[[[(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]-7-methyl-4-oxononanoic acid;(3R,6R)-6-[[(1S)-2-[2-[2-[[(2S,4R)-4-[[2-[(2R,4R)-4-[butanoyloxymethyl-[(2S)-3-methyl-2-[2-[(2R)-1-methylpiperidin-2-yl]-2-oxoethyl]pentanoyl]amino]-5-methylhexan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoyl]amino]acetyl]oxyethyldisulfanyl]-1-carboxyethyl]carbamoyl]-3-[[2-[4-[[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoylamino]methyl]phenyl]acetyl]amino]-4-oxooctanedioic acid;tris(carbon dioxide);(2R)-2-[8-[4-[(4R)-4-[[(3R,6R)-1-carboxy-6-methyl-4,9-dioxo-9-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]nonan-3-yl]carbamoyl]-2,7-dioxo-7-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]heptyl]phenyl]-6-oxooctyl]-4-oxononanedioic acid;deuterium monohydride is sourced from PubChem (CID 159481740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).