6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane

C153H196N22O31S6 — CID 157259330

About 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane

6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane (PubChem CID 157259330) has the molecular formula C153H196N22O31S6 and a molecular weight of 3031.78 g/mol. Its IUPAC name is 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane.

Molecular Properties

• Compound Name: 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane
• PubChem CID: 157259330
• Molecular Formula: C153H196N22O31S6
• Molecular Weight: 3031.78 g/mol
• Exact Mass: 3029.28
• IUPAC Name: 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane
• SMILES: CCC(=O)NCCCCCC(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(COC(=O)N(CCOC23CC4(C)CC(C)(CC(Cn5ncc(-c6ccc(N7CCc8cccc(C(=O)Nc9nc%10ccccc%10s9)c8C7)nc6C(=O)O)c5C)(C4)C2)C3)CCS(=O)(=O)O)cc1)C(C)C.CSC.CSC1CC(=O)N(CCCCCC(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc2ccc(COC(=O)N(CCOC34CC5(C)CC(C)(CC(Cn6ncc(-c7ccc(N8CCc9cccc(C(=O)Nc%10nc%11ccccc%11s%10)c9C8)nc7C(=O)O)c6C)(C5)C3)C4)CCS(=O)(=O)O)cc2)C(C)C)C1=O.O=C=O
• InChI: InChI=1S/C76H95N11O15S3.C74H95N11O14S2.C2H6S.CO2/c1-47(2)55(35-52(88)15-8-7-11-28-86-64(90)36-62(103-6)68(86)93)67(92)80-58(18-13-27-78-70(77)96)60(89)34-49-20-22-50(23-21-49)39-101-72(97)84(31-33-105(98,99)100)30-32-102-76-43-73(4)40-74(5,44-76)42-75(41-73,45-76)46-87-48(3)56(37-79-87)53-24-25-63(82-65(53)69(94)95)85-29-26-51-14-12-16-54(57(51)38-85)66(91)83-71-81-59-17-9-10-19-61(59)104-71;1-7-63(88)76-28-12-8-9-16-52(86)36-55(47(2)3)66(90)79-58(19-14-29-77-68(75)93)60(87)35-49-21-23-50(24-22-49)39-98-70(94)83(32-34-101(95,96)97)31-33-99-74-43-71(5)40-72(6,44-74)42-73(41-71,45-74)46-85-48(4)56(37-78-85)53-25-26-62(81-64(53)67(91)92)84-30-27-51-15-13-17-54(57(51)38-84)65(89)82-69-80-59-18-10-11-20-61(59)100-69;1-3-2;2-1-3/h9-10,12,14,16-17,19-25,37,47,55,58,62H,7-8,11,13,15,18,26-36,38-46H2,1-6H3,(H,80,92)(H,94,95)(H3,77,78,96)(H,81,83,91)(H,98,99,100);10-11,13,15,17-18,20-26,37,47,55,58H,7-9,12,14,16,19,27-36,38-46H2,1-6H3,(H,76,88)(H,79,90)(H,91,92)(H3,75,77,93)(H,80,82,89)(H,95,96,97);1-2H3;/t55-,58-,62?,73?,74?,75?,76?;55-,58-,71?,72?,73?,74?;;/m00../s1
• InChIKey: AXGUAOZNSKBJFA-FBLBVJBZSA-N
• XLogP: 21.16
• TPSA: 750.10 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 70
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3031.78
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane?

The IUPAC name of 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane (CID 157259330) is 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane.

What is the SMILES notation for 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane?

The canonical SMILES for 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane is CCC(=O)NCCCCCC(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc1ccc(COC(=O)N(CCOC23CC4(C)CC(C)(CC(Cn5ncc(-c6ccc(N7CCc8cccc(C(=O)Nc9nc%10ccccc%10s9)c8C7)nc6C(=O)O)c5C)(C4)C2)C3)CCS(=O)(=O)O)cc1)C(C)C.CSC.CSC1CC(=O)N(CCCCCC(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc2ccc(COC(=O)N(CCOC34CC5(C)CC(C)(CC(Cn6ncc(-c7ccc(N8CCc9cccc(C(=O)Nc%10nc%11ccccc%11s%10)c9C8)nc7C(=O)O)c6C)(C5)C3)C4)CCS(=O)(=O)O)cc2)C(C)C)C1=O.O=C=O.

What is the InChIKey of 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane?

The InChIKey is AXGUAOZNSKBJFA-FBLBVJBZSA-N. The full InChI is InChI=1S/C76H95N11O15S3.C74H95N11O14S2.C2H6S.CO2/c1-47(2)55(35-52(88)15-8-7-11-28-86-64(90)36-62(103-6)68(86)93)67(92)80-58(18-13-27-78-70(77)96)60(89)34-49-20-22-50(23-21-49)39-101-72(97)84(31-33-105(98,99)100)30-32-102-76-43-73(4)40-74(5,44-76)42-75(41-73,45-76)46-87-48(3)56(37-79-87)53-24-25-63(82-65(53)69(94)95)85-29-26-51-14-12-16-54(57(51)38-85)66(91)83-71-81-59-17-9-10-19-61(59)104-71;1-7-63(88)76-28-12-8-9-16-52(86)36-55(47(2)3)66(90)79-58(19-14-29-77-68(75)93)60(87)35-49-21-23-50(24-22-49)39-98-70(94)83(32-34-101(95,96)97)31-33-99-74-43-71(5)40-72(6,44-74)42-73(41-71,45-74)46-85-48(4)56(37-78-85)53-25-26-62(81-64(53)67(91)92)84-30-27-51-15-13-17-54(57(51)38-84)65(89)82-69-80-59-18-10-11-20-61(59)100-69;1-3-2;2-1-3/h9-10,12,14,16-17,19-25,37,47,55,58,62H,7-8,11,13,15,18,26-36,38-46H2,1-6H3,(H,80,92)(H,94,95)(H3,77,78,96)(H,81,83,91)(H,98,99,100);10-11,13,15,17-18,20-26,37,47,55,58H,7-9,12,14,16,19,27-36,38-46H2,1-6H3,(H,76,88)(H,79,90)(H,91,92)(H3,75,77,93)(H,80,82,89)(H,95,96,97);1-2H3;/t55-,58-,62?,73?,74?,75?,76?;55-,58-,71?,72?,73?,74?;;/m00../s1.

What are the key properties of 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane?

6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane has a molecular weight of 3031.78 g/mol, XLogP of 21.16, 70 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-3-[[(2S)-9-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3-[2-[[4-[(3S)-6-(carbamoylamino)-2-oxo-3-[[(2S)-4-oxo-9-(propanoylamino)-2-propan-2-ylnonanoyl]amino]hexyl]phenyl]methoxycarbonyl-(2-sulfoethyl)amino]ethoxy]-5,7-dimethyl-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;carbon dioxide;methylsulfanylmethane is sourced from PubChem (CID 157259330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).