[(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

C169H236N16O32 — CID 161010604

About [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

[(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 161010604) has the molecular formula C169H236N16O32 and a molecular weight of 3003.83 g/mol. Its IUPAC name is [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

• Compound Name: [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
• PubChem CID: 161010604
• Molecular Formula: C169H236N16O32
• Molecular Weight: 3003.83 g/mol
• Exact Mass: 3001.73
• IUPAC Name: [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate
• SMILES: C=CCCC(=O)C(=O)C(CC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)C1CC1)C(C)C)C(C)(C)C)CC1CC1.C=CCCC(=O)C(=O)C(CC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)C1CC1)C(C)C)C(C)(C)C)CC1CCC1.CC(C)[C@H](NC(=O)N[C@H](C(=O)N1C[C@H](OC(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)CC(CC1CC1)C(=O)C(=O)CC1CC1)C(C)(C)C)C(=O)C1CC1.CCCCC(CC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)C1CC1)C(C)C)C(C)(C)C)C(=O)C(=O)CC1CC1
• InChI: InChI=1S/C43H60N4O8.2C42H58N4O8.C42H60N4O8/c1-7-8-16-34(48)37(50)31(21-27-12-11-13-27)22-35(49)33-23-32(55-42(54)46-20-19-28-14-9-10-15-30(28)24-46)25-47(33)40(52)39(43(4,5)6)45-41(53)44-36(26(2)3)38(51)29-17-18-29;1-24(2)35(37(50)28-14-15-28)43-40(52)44-38(42(3,4)5)39(51)46-23-31(54-41(53)45-17-16-27-8-6-7-9-29(27)22-45)21-32(46)33(47)20-30(18-25-10-11-25)36(49)34(48)19-26-12-13-26;1-7-8-13-33(47)36(49)30(20-26-14-15-26)21-34(48)32-22-31(54-41(53)45-19-18-27-11-9-10-12-29(27)23-45)24-46(32)39(51)38(42(4,5)6)44-40(52)43-35(25(2)3)37(50)28-16-17-28;1-7-8-11-29(36(49)34(48)20-26-14-15-26)21-33(47)32-22-31(54-41(53)45-19-18-27-12-9-10-13-30(27)23-45)24-46(32)39(51)38(42(4,5)6)44-40(52)43-35(25(2)3)37(50)28-16-17-28/h7,9-10,14-15,26-27,29,31-33,36,39H,1,8,11-13,16-25H2,2-6H3,(H2,44,45,53);6-9,24-26,28,30-32,35,38H,10-23H2,1-5H3,(H2,43,44,52);7,9-12,25-26,28,30-32,35,38H,1,8,13-24H2,2-6H3,(H2,43,44,52);9-10,12-13,25-26,28-29,31-32,35,38H,7-8,11,14-24H2,1-6H3,(H2,43,44,52)/t31?,32-,33+,36+,39-;2*30?,31-,32+,35+,38-;29?,31-,32+,35+,38-/m1111/s1
• InChIKey: TXBRAMNSXFSXOK-SEVZTFCPSA-N
• XLogP: 21.84
• TPSA: 637.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 67
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3003.83
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?

The IUPAC name of [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 161010604) is [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is the SMILES notation for [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?

The canonical SMILES for [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate is C=CCCC(=O)C(=O)C(CC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)C1CC1)C(C)C)C(C)(C)C)CC1CC1.C=CCCC(=O)C(=O)C(CC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)C1CC1)C(C)C)C(C)(C)C)CC1CCC1.CC(C)[C@H](NC(=O)N[C@H](C(=O)N1C[C@H](OC(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)CC(CC1CC1)C(=O)C(=O)CC1CC1)C(C)(C)C)C(=O)C1CC1.CCCCC(CC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@@H](NC(=O)N[C@H](C(=O)C1CC1)C(C)C)C(C)(C)C)C(=O)C(=O)CC1CC1.

What is the InChIKey of [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?

The InChIKey is TXBRAMNSXFSXOK-SEVZTFCPSA-N. The full InChI is InChI=1S/C43H60N4O8.2C42H58N4O8.C42H60N4O8/c1-7-8-16-34(48)37(50)31(21-27-12-11-13-27)22-35(49)33-23-32(55-42(54)46-20-19-28-14-9-10-15-30(28)24-46)25-47(33)40(52)39(43(4,5)6)45-41(53)44-36(26(2)3)38(51)29-17-18-29;1-24(2)35(37(50)28-14-15-28)43-40(52)44-38(42(3,4)5)39(51)46-23-31(54-41(53)45-17-16-27-8-6-7-9-29(27)22-45)21-32(46)33(47)20-30(18-25-10-11-25)36(49)34(48)19-26-12-13-26;1-7-8-13-33(47)36(49)30(20-26-14-15-26)21-34(48)32-22-31(54-41(53)45-19-18-27-11-9-10-12-29(27)23-45)24-46(32)39(51)38(42(4,5)6)44-40(52)43-35(25(2)3)37(50)28-16-17-28;1-7-8-11-29(36(49)34(48)20-26-14-15-26)21-33(47)32-22-31(54-41(53)45-19-18-27-12-9-10-13-30(27)23-45)24-46(32)39(51)38(42(4,5)6)44-40(52)43-35(25(2)3)37(50)28-16-17-28/h7,9-10,14-15,26-27,29,31-33,36,39H,1,8,11-13,16-25H2,2-6H3,(H2,44,45,53);6-9,24-26,28,30-32,35,38H,10-23H2,1-5H3,(H2,43,44,52);7,9-12,25-26,28,30-32,35,38H,1,8,13-24H2,2-6H3,(H2,43,44,52);9-10,12-13,25-26,28-29,31-32,35,38H,7-8,11,14-24H2,1-6H3,(H2,43,44,52)/t31?,32-,33+,36+,39-;2*30?,31-,32+,35+,38-;29?,31-,32+,35+,38-/m1111/s1.

What are the key properties of [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate?

[(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 3003.83 g/mol, XLogP of 21.84, 67 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5S)-5-[3-(cyclobutylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[6-cyclopropyl-3-(cyclopropylmethyl)-4,5-dioxohexanoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-5-[3-(cyclopropylmethyl)-4,5-dioxonon-8-enoyl]-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate;[(3R,5S)-1-[(2S)-2-[[(2S)-1-cyclopropyl-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-5-[3-(3-cyclopropyl-2-oxopropanoyl)heptanoyl]pyrrolidin-3-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 161010604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).