1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen

C161H194FN31O19 — CID 167624249

IUPAC1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CC(O)c3ccccc3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3C(C)C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4OC)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4cc(OC)ccc43)C2)cc1.[H][H].[H][H]
InChIInChI=1S/C33H45N7O4.C33H38N6O4.C32H35FN6O3.C32H36N6O4.C31H36N6O4.2H2/c1-21(2)28-6-5-15-39(28)31(41)14-12-26(34)33(43)40-20-24(16-22-7-10-25(44-4)11-8-22)18-30(40)32(42)35-19-23-9-13-29-27(17-23)36-37-38(29)3;1-38-29-13-10-22(15-27(29)36-37-38)18-35-32(40)30-16-23(14-21-8-11-25(42-2)12-9-21)20-39(30)33(41)28-17-24(19-34-28)26-6-4-5-7-31(26)43-3;1-38-29-12-9-21(14-27(29)36-37-38)17-35-31(40)30-15-22(13-20-7-10-24(42-2)11-8-20)19-39(30)32(41)28-16-23(18-34-28)25-5-3-4-6-26(25)33;1-37-28-11-6-21(15-27(28)35-36-37)18-34-31(39)29-16-22(14-20-4-7-24(41-2)8-5-20)19-38(29)32(40)30-26-10-9-25(42-3)17-23(26)12-13-33-30;1-36-27-13-10-21(15-26(27)34-35-36)18-33-30(39)28-16-22(14-20-8-11-24(41-2)12-9-20)19-37(28)31(40)25(32)17-29(38)23-6-4-3-5-7-23;;/h7-11,13,17,21,24,26,28,30H,5-6,12,14-16,18-20,34H2,1-4H3,(H,35,42);4-13,15,23-24,28,30,34H,14,16-20H2,1-3H3,(H,35,40);3-12,14,22-23,28,30,34H,13,15-19H2,1-2H3,(H,35,40);4-11,15,17,22,29-30,33H,12-14,16,18-19H2,1-3H3,(H,34,39);3-13,15,22,25,28-29,38H,14,16-19,32H2,1-2H3,(H,33,39);2*1H
InChIKeyMWGIYSMOSPGPME-UHFFFAOYSA-N
MW2886.52 g/mol
LogP15.30
Rot. Bonds46

About 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167624249) has the molecular formula C161H194FN31O19 and a molecular weight of 2886.52 g/mol. Its IUPAC name is 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167624249
Molecular FormulaC161H194FN31O19
Molecular Weight2886.52 g/mol
Exact Mass2884.52
IUPAC Name1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CC(O)c3ccccc3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3C(C)C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4OC)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4cc(OC)ccc43)C2)cc1.[H][H].[H][H]
InChIInChI=1S/C33H45N7O4.C33H38N6O4.C32H35FN6O3.C32H36N6O4.C31H36N6O4.2H2/c1-21(2)28-6-5-15-39(28)31(41)14-12-26(34)33(43)40-20-24(16-22-7-10-25(44-4)11-8-22)18-30(40)32(42)35-19-23-9-13-29-27(17-23)36-37-38(29)3;1-38-29-13-10-22(15-27(29)36-37-38)18-35-32(40)30-16-23(14-21-8-11-25(42-2)12-9-21)20-39(30)33(41)28-17-24(19-34-28)26-6-4-5-7-31(26)43-3;1-38-29-12-9-21(14-27(29)36-37-38)17-35-31(40)30-15-22(13-20-7-10-24(42-2)11-8-20)19-39(30)32(41)28-16-23(18-34-28)25-5-3-4-6-26(25)33;1-37-28-11-6-21(15-27(28)35-36-37)18-34-31(39)29-16-22(14-20-4-7-24(41-2)8-5-20)19-38(29)32(40)30-26-10-9-25(42-3)17-23(26)12-13-33-30;1-36-27-13-10-21(15-26(27)34-35-36)18-33-30(39)28-16-22(14-20-8-11-24(41-2)12-9-20)19-37(28)31(40)25(32)17-29(38)23-6-4-3-5-7-23;;/h7-11,13,17,21,24,26,28,30H,5-6,12,14-16,18-20,34H2,1-4H3,(H,35,42);4-13,15,23-24,28,30,34H,14,16-20H2,1-3H3,(H,35,40);3-12,14,22-23,28,30,34H,13,15-19H2,1-2H3,(H,35,40);4-11,15,17,22,29-30,33H,12-14,16,18-19H2,1-3H3,(H,34,39);3-13,15,22,25,28-29,38H,14,16-19,32H2,1-2H3,(H,33,39);2*1H
InChIKeyMWGIYSMOSPGPME-UHFFFAOYSA-N
XLogP15.30
TPSA593.88 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds46
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002886.52
LogP ≤ 515.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen (CID 167624249) is 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CC(O)c3ccccc3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3C(C)C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4OC)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3NCCc4cc(OC)ccc43)C2)cc1.[H][H].[H][H].
What is the InChIKey of 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is MWGIYSMOSPGPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N7O4.C33H38N6O4.C32H35FN6O3.C32H36N6O4.C31H36N6O4.2H2/c1-21(2)28-6-5-15-39(28)31(41)14-12-26(34)33(43)40-20-24(16-22-7-10-25(44-4)11-8-22)18-30(40)32(42)35-19-23-9-13-29-27(17-23)36-37-38(29)3;1-38-29-13-10-22(15-27(29)36-37-38)18-35-32(40)30-16-23(14-21-8-11-25(42-2)12-9-21)20-39(30)33(41)28-17-24(19-34-28)26-6-4-5-7-31(26)43-3;1-38-29-12-9-21(14-27(29)36-37-38)17-35-31(40)30-15-22(13-20-7-10-24(42-2)11-8-20)19-39(30)32(41)28-16-23(18-34-28)25-5-3-4-6-26(25)33;1-37-28-11-6-21(15-27(28)35-36-37)18-34-31(39)29-16-22(14-20-4-7-24(41-2)8-5-20)19-38(29)32(40)30-26-10-9-25(42-3)17-23(26)12-13-33-30;1-36-27-13-10-21(15-26(27)34-35-36)18-33-30(39)28-16-22(14-20-8-11-24(41-2)12-9-20)19-37(28)31(40)25(32)17-29(38)23-6-4-3-5-7-23;;/h7-11,13,17,21,24,26,28,30H,5-6,12,14-16,18-20,34H2,1-4H3,(H,35,42);4-13,15,23-24,28,30,34H,14,16-20H2,1-3H3,(H,35,40);3-12,14,22-23,28,30,34H,13,15-19H2,1-2H3,(H,35,40);4-11,15,17,22,29-30,33H,12-14,16,18-19H2,1-3H3,(H,34,39);3-13,15,22,25,28-29,38H,14,16-19,32H2,1-2H3,(H,33,39);2*1H.
What are the key properties of 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2886.52 g/mol, XLogP of 15.30, 46 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-hydroxy-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-oxo-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167624249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).