benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid

C177H255F3N18O38S4 — CID 165041499

About benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid

benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 165041499) has the molecular formula C177H255F3N18O38S4 and a molecular weight of 3428.34 g/mol. Its IUPAC name is benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 165041499
• Molecular Formula: C177H255F3N18O38S4
• Molecular Weight: 3428.34 g/mol
• Exact Mass: 3425.74
• IUPAC Name: benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)O)C1.CSCC[C@H](N)C(=O)NCC(=O)C[C@@H](CCCCCC(=O)OCc1ccccc1)C(C)=O.CSCC[C@H](NC(=O)c1cccc2c1CCC(C(=O)CN1CCN(CC(C)=O)CCN(CC(C)=O)CCN(CC(=O)OC(C)(C)C)CC1)C2)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.CSCC[C@H](NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.CSCC[C@H](NCc1cccc2c1CCNC2)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C59H89N7O12S.C41H58N4O9S.C36H52N4O6S.C24H36N2O5S.C15H19NO4.C2HF3O2/c1-42(67)37-63-27-28-64(38-43(2)68)30-33-66(40-54(72)77-58(3,4)5)34-32-65(31-29-63)39-52(70)46-21-22-47-45(36-46)18-15-19-48(47)55(73)62-49(25-35-79-9)51(69)23-24-53(71)61-50(56(74)78-59(6,7)8)20-13-14-26-60-57(75)76-41-44-16-11-10-12-17-44;1-40(2,3)53-37(49)33(18-11-12-23-42-38(50)52-27-28-14-9-8-10-15-28)43-35(47)20-19-34(46)32(22-25-55-7)44-36(48)31-17-13-16-29-26-45(24-21-30(29)31)39(51)54-41(4,5)6;1-36(2,3)46-34(43)31(15-8-9-20-38-35(44)45-25-26-11-6-5-7-12-26)40-33(42)17-16-32(41)30(19-22-47-4)39-24-28-14-10-13-27-23-37-21-18-29(27)28;1-18(27)20(15-21(28)16-26-24(30)22(25)13-14-32-2)11-7-4-8-12-23(29)31-17-19-9-5-3-6-10-19;1-15(2,3)20-14(19)16-8-7-11-10(9-16)5-4-6-12(11)13(17)18;3-2(4,5)1(6)7/h10-12,15-19,46,49-50H,13-14,20-41H2,1-9H3,(H,60,75)(H,61,71)(H,62,73);8-10,13-17,32-33H,11-12,18-27H2,1-7H3,(H,42,50)(H,43,47)(H,44,48);5-7,10-14,30-31,37,39H,8-9,15-25H2,1-4H3,(H,38,44)(H,40,42);3,5-6,9-10,20,22H,4,7-8,11-17,25H2,1-2H3,(H,26,30);4-6H,7-9H2,1-3H3,(H,17,18);(H,6,7)/t46?,49-,50-;32-,33-;30-,31-;20-,22+;;/m0001../s1
• InChIKey: MYUMYJGNMGGZDN-LDMYKWIZSA-N
• XLogP: 22.50
• TPSA: 754.37 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 47
• Rotatable Bonds: 82
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3428.34
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid (CID 165041499) is benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)O)C1.CSCC[C@H](N)C(=O)NCC(=O)C[C@@H](CCCCCC(=O)OCc1ccccc1)C(C)=O.CSCC[C@H](NC(=O)c1cccc2c1CCC(C(=O)CN1CCN(CC(C)=O)CCN(CC(C)=O)CCN(CC(=O)OC(C)(C)C)CC1)C2)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.CSCC[C@H](NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.CSCC[C@H](NCc1cccc2c1CCNC2)C(=O)CCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.O=C(O)C(F)(F)F.

What is the InChIKey of benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is MYUMYJGNMGGZDN-LDMYKWIZSA-N. The full InChI is InChI=1S/C59H89N7O12S.C41H58N4O9S.C36H52N4O6S.C24H36N2O5S.C15H19NO4.C2HF3O2/c1-42(67)37-63-27-28-64(38-43(2)68)30-33-66(40-54(72)77-58(3,4)5)34-32-65(31-29-63)39-52(70)46-21-22-47-45(36-46)18-15-19-48(47)55(73)62-49(25-35-79-9)51(69)23-24-53(71)61-50(56(74)78-59(6,7)8)20-13-14-26-60-57(75)76-41-44-16-11-10-12-17-44;1-40(2,3)53-37(49)33(18-11-12-23-42-38(50)52-27-28-14-9-8-10-15-28)43-35(47)20-19-34(46)32(22-25-55-7)44-36(48)31-17-13-16-29-26-45(24-21-30(29)31)39(51)54-41(4,5)6;1-36(2,3)46-34(43)31(15-8-9-20-38-35(44)45-25-26-11-6-5-7-12-26)40-33(42)17-16-32(41)30(19-22-47-4)39-24-28-14-10-13-27-23-37-21-18-29(27)28;1-18(27)20(15-21(28)16-26-24(30)22(25)13-14-32-2)11-7-4-8-12-23(29)31-17-19-9-5-3-6-10-19;1-15(2,3)20-14(19)16-8-7-11-10(9-16)5-4-6-12(11)13(17)18;3-2(4,5)1(6)7/h10-12,15-19,46,49-50H,13-14,20-41H2,1-9H3,(H,60,75)(H,61,71)(H,62,73);8-10,13-17,32-33H,11-12,18-27H2,1-7H3,(H,42,50)(H,43,47)(H,44,48);5-7,10-14,30-31,37,39H,8-9,15-25H2,1-4H3,(H,38,44)(H,40,42);3,5-6,9-10,20,22H,4,7-8,11-17,25H2,1-2H3,(H,26,30);4-6H,7-9H2,1-3H3,(H,17,18);(H,6,7)/t46?,49-,50-;32-,33-;30-,31-;20-,22+;;/m0001../s1.

What are the key properties of benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?

benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 3428.34 g/mol, XLogP of 22.50, 82 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (7R)-7-acetyl-10-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-9-oxodecanoate;tert-butyl (2S)-2-[[(5S)-5-[[6-[2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-1-carbonyl]amino]-7-methylsulfanyl-4-oxoheptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;tert-butyl 5-[[(3S)-7-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-methylsulfanyl-4,7-dioxoheptan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (2S)-2-[[(5S)-7-methylsulfanyl-4-oxo-5-(1,2,3,4-tetrahydroisoquinolin-5-ylmethylamino)heptanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 165041499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).