(4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid

C151H209N23O44 — CID 172983265

About (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid

(4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid (PubChem CID 172983265) has the molecular formula C151H209N23O44 and a molecular weight of 3050.45 g/mol. Its IUPAC name is (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid.

Molecular Properties

• Compound Name: (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid
• PubChem CID: 172983265
• Molecular Formula: C151H209N23O44
• Molecular Weight: 3050.45 g/mol
• Exact Mass: 3048.48
• IUPAC Name: (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid
• SMILES: [H]/N=C(\N)NCCC[C@@H](CC(=O)[C@@H](CO)NC(=O)[C@@H](CC(=O)[C@H](CC1CCCCC1)NC(=O)C(CC(=O)O)CC(=O)C(CCC1CC(=O)N(CCC(=O)N[C@H](CCC(=O)O)C(=O)C[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)CC(CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)C[C@@H](Cc2ccc(/C(C)=N/OCCNC(=O)CCN3C(=O)C=CC3=O)cc2)C(=O)NCCOCC(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)CCC)C1=O)NC(C)=O)Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)C[C@@H](CC(C)C)C(=O)NC(CC1=CCc2ccccc21)C(=O)C[C@@H](CO)C(N)=O
• InChI: InChI=1S/C151H209N23O44/c1-8-20-118(179)112(66-86(4)5)169-147(214)117-29-19-60-172(117)149(216)111(28-18-57-160-151(155)156)163-129(190)84-217-63-58-158-140(207)101(68-91-30-34-93(35-31-91)87(6)171-218-64-59-157-127(188)54-61-173-130(191)47-48-131(173)192)76-122(183)110(46-53-137(202)203)165-143(210)98(40-50-134(196)197)74-120(181)109(45-52-136(200)201)164-142(209)97(39-49-133(194)195)73-119(180)108(44-51-135(198)199)162-128(189)55-62-174-132(193)80-99(148(174)215)38-43-107(161-88(7)177)121(182)78-103(81-138(204)205)146(213)167-113(69-90-23-13-10-14-24-90)124(185)77-102(67-89-21-11-9-12-22-89)145(212)170-116(83-176)126(187)72-96(26-17-56-159-150(153)154)141(208)166-114(70-92-32-41-105(178)42-33-92)123(184)75-100(65-85(2)3)144(211)168-115(125(186)79-104(82-175)139(152)206)71-95-37-36-94-25-15-16-27-106(94)95/h9,11-12,15-16,21-22,25,27,30-35,37,41-42,47-48,85-86,90,96-104,107-117,175-176,178H,8,10,13-14,17-20,23-24,26,28-29,36,38-40,43-46,49-84H2,1-7H3,(H2,152,206)(H,157,188)(H,158,207)(H,161,177)(H,162,189)(H,163,190)(H,164,209)(H,165,210)(H,166,208)(H,167,213)(H,168,211)(H,169,214)(H,170,212)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H4,153,154,159)(H4,155,156,160)/b171-87+/t96-,97-,98?,99?,100+,101+,102+,103?,104-,107?,108+,109+,110+,111-,112-,113-,114?,115?,116+,117-/m0/s1
• InChIKey: HAVIPNZOPRAHOS-NLUWNSPJSA-N
• XLogP: 2.99
• TPSA: 1080.10 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 41
• Rotatable Bonds: 107
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3050.45
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

The IUPAC name of (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid (CID 172983265) is (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid.

What is the SMILES notation for (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

The canonical SMILES for (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid is [H]/N=C(\N)NCCC[C@@H](CC(=O)[C@@H](CO)NC(=O)[C@@H](CC(=O)[C@H](CC1CCCCC1)NC(=O)C(CC(=O)O)CC(=O)C(CCC1CC(=O)N(CCC(=O)N[C@H](CCC(=O)O)C(=O)C[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)CC(CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)C[C@@H](Cc2ccc(/C(C)=N/OCCNC(=O)CCN3C(=O)C=CC3=O)cc2)C(=O)NCCOCC(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)CCC)C1=O)NC(C)=O)Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)C[C@@H](CC(C)C)C(=O)NC(CC1=CCc2ccccc21)C(=O)C[C@@H](CO)C(N)=O.

What is the InChIKey of (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

The InChIKey is HAVIPNZOPRAHOS-NLUWNSPJSA-N. The full InChI is InChI=1S/C151H209N23O44/c1-8-20-118(179)112(66-86(4)5)169-147(214)117-29-19-60-172(117)149(216)111(28-18-57-160-151(155)156)163-129(190)84-217-63-58-158-140(207)101(68-91-30-34-93(35-31-91)87(6)171-218-64-59-157-127(188)54-61-173-130(191)47-48-131(173)192)76-122(183)110(46-53-137(202)203)165-143(210)98(40-50-134(196)197)74-120(181)109(45-52-136(200)201)164-142(209)97(39-49-133(194)195)73-119(180)108(44-51-135(198)199)162-128(189)55-62-174-132(193)80-99(148(174)215)38-43-107(161-88(7)177)121(182)78-103(81-138(204)205)146(213)167-113(69-90-23-13-10-14-24-90)124(185)77-102(67-89-21-11-9-12-22-89)145(212)170-116(83-176)126(187)72-96(26-17-56-159-150(153)154)141(208)166-114(70-92-32-41-105(178)42-33-92)123(184)75-100(65-85(2)3)144(211)168-115(125(186)79-104(82-175)139(152)206)71-95-37-36-94-25-15-16-27-106(94)95/h9,11-12,15-16,21-22,25,27,30-35,37,41-42,47-48,85-86,90,96-104,107-117,175-176,178H,8,10,13-14,17-20,23-24,26,28-29,36,38-40,43-46,49-84H2,1-7H3,(H2,152,206)(H,157,188)(H,158,207)(H,161,177)(H,162,189)(H,163,190)(H,164,209)(H,165,210)(H,166,208)(H,167,213)(H,168,211)(H,169,214)(H,170,212)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H4,153,154,159)(H4,155,156,160)/b171-87+/t96-,97-,98?,99?,100+,101+,102+,103?,104-,107?,108+,109+,110+,111-,112-,113-,114?,115?,116+,117-/m0/s1.

What are the key properties of (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid?

(4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid has a molecular weight of 3050.45 g/mol, XLogP of 2.99, 107 rotatable bonds, 28 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-4-[3-[3-[3-acetamido-7-[[(2S,5R)-6-[[(2R,5S)-5-[[(5R)-5-[[(5S)-6-amino-5-(hydroxymethyl)-1-(3H-inden-1-yl)-3,6-dioxohexan-2-yl]carbamoyl]-1-(4-hydroxyphenyl)-7-methyl-3-oxooctan-2-yl]carbamoyl]-8-carbamimidamido-1-hydroxy-3-oxooctan-2-yl]amino]-5-benzyl-1-cyclohexyl-3,6-dioxohexan-2-yl]amino]-6-(carboxymethyl)-4,7-dioxoheptyl]-2,5-dioxopyrrolidin-1-yl]propanoylamino]-7-[[(3R,6S)-6-[[(3R,6R)-7-[2-[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(4S)-2-methyl-5-oxooctan-4-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethoxy]ethylamino]-1-carboxy-6-[[4-[(E)-N-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-C-methylcarbonimidoyl]phenyl]methyl]-4,7-dioxoheptan-3-yl]carbamoyl]-1,8-dicarboxy-4-oxooctan-3-yl]carbamoyl]-5-oxodecanedioic acid is sourced from PubChem (CID 172983265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).