4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid

C145H176N48O20 — CID 161346739

IUPAC4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid
SMILESC#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1C.C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1OC.CC(C)=CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1C.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1ccoc1)Cc1cnc2nc(N)nc(N)c2n1.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1cnc2nc(N)nc(N)c2n1)CC(C)(C)C.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1cnc2nc(N)nc(N)c2n1)CC1CC1
InChIInChI=1S/C25H28N8O4.C25H34N8O3.C25H32N8O3.C24H30N8O3.C23H26N8O4.C23H26N8O3/c1-14-9-17(24(36)29-15(2)3-6-20(34)35)4-5-19(14)33(11-16-7-8-37-13-16)12-18-10-28-23-21(30-18)22(26)31-25(27)32-23;1-14-10-16(23(36)29-15(2)6-9-19(34)35)7-8-18(14)33(13-25(3,4)5)12-17-11-28-22-20(30-17)21(26)31-24(27)32-22;1-14(2)9-10-33(13-18-12-28-23-21(30-18)22(26)31-25(27)32-23)19-7-6-17(11-15(19)3)24(36)29-16(4)5-8-20(34)35;1-13-9-16(23(35)28-14(2)3-8-19(33)34)6-7-18(13)32(11-15-4-5-15)12-17-10-27-22-20(29-17)21(25)30-24(26)31-22;1-4-9-31(12-15-11-26-21-19(28-15)20(24)29-23(25)30-21)16-7-6-14(10-17(16)35-3)22(34)27-13(2)5-8-18(32)33;1-4-9-31(12-16-11-26-21-19(28-16)20(24)29-23(25)30-21)17-7-6-15(10-13(17)2)22(34)27-14(3)5-8-18(32)33/h4-5,7-10,13,15H,3,6,11-12H2,1-2H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);7-8,10-11,15H,6,9,12-13H2,1-5H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);6-7,9,11-12,16H,5,8,10,13H2,1-4H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);6-7,9-10,14-15H,3-5,8,11-12H2,1-2H3,(H,28,35)(H,33,34)(H4,25,26,27,30,31);1,6-7,10-11,13H,5,8-9,12H2,2-3H3,(H,27,34)(H,32,33)(H4,24,25,26,29,30);1,6-7,10-11,14H,5,8-9,12H2,2-3H3,(H,27,34)(H,32,33)(H4,24,25,26,29,30)
InChIKeyVNJZNGNREKXGIH-UHFFFAOYSA-N
MW2911.32 g/mol
LogP13.48
Rot. Bonds58

About 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid

4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid (PubChem CID 161346739) has the molecular formula C145H176N48O20 and a molecular weight of 2911.32 g/mol. Its IUPAC name is 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid
PubChem CID161346739
Molecular FormulaC145H176N48O20
Molecular Weight2911.32 g/mol
Exact Mass2909.42
IUPAC Name4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid
SMILESC#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1C.C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1OC.CC(C)=CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1C.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1ccoc1)Cc1cnc2nc(N)nc(N)c2n1.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1cnc2nc(N)nc(N)c2n1)CC(C)(C)C.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1cnc2nc(N)nc(N)c2n1)CC1CC1
InChIInChI=1S/C25H28N8O4.C25H34N8O3.C25H32N8O3.C24H30N8O3.C23H26N8O4.C23H26N8O3/c1-14-9-17(24(36)29-15(2)3-6-20(34)35)4-5-19(14)33(11-16-7-8-37-13-16)12-18-10-28-23-21(30-18)22(26)31-25(27)32-23;1-14-10-16(23(36)29-15(2)6-9-19(34)35)7-8-18(14)33(13-25(3,4)5)12-17-11-28-22-20(30-17)21(26)31-24(27)32-22;1-14(2)9-10-33(13-18-12-28-23-21(30-18)22(26)31-25(27)32-23)19-7-6-17(11-15(19)3)24(36)29-16(4)5-8-20(34)35;1-13-9-16(23(35)28-14(2)3-8-19(33)34)6-7-18(13)32(11-15-4-5-15)12-17-10-27-22-20(29-17)21(25)30-24(26)31-22;1-4-9-31(12-15-11-26-21-19(28-15)20(24)29-23(25)30-21)16-7-6-14(10-17(16)35-3)22(34)27-13(2)5-8-18(32)33;1-4-9-31(12-16-11-26-21-19(28-16)20(24)29-23(25)30-21)17-7-6-15(10-13(17)2)22(34)27-14(3)5-8-18(32)33/h4-5,7-10,13,15H,3,6,11-12H2,1-2H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);7-8,10-11,15H,6,9,12-13H2,1-5H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);6-7,9,11-12,16H,5,8,10,13H2,1-4H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);6-7,9-10,14-15H,3-5,8,11-12H2,1-2H3,(H,28,35)(H,33,34)(H4,25,26,27,30,31);1,6-7,10-11,13H,5,8-9,12H2,2-3H3,(H,27,34)(H,32,33)(H4,24,25,26,29,30);1,6-7,10-11,14H,5,8-9,12H2,2-3H3,(H,27,34)(H,32,33)(H4,24,25,26,29,30)
InChIKeyVNJZNGNREKXGIH-UHFFFAOYSA-N
XLogP13.48
TPSA1061.81 Ų
H-Bond Donors24
H-Bond Acceptors56
Rotatable Bonds58
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002911.32
LogP ≤ 513.48
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanedioic acid
CID 11656387
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrochloride
CID 18185873
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
CID 102388123
carbamic acid;2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
CID 90220553
carbamic acid;(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
CID 90220552
(4S)-4-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 165368592
(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 58596737
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2-hydroxyethyl)amino]benzoyl]amino]pentanedioic acid
CID 21144557
(4R,9S)-4-tert-butyl-9-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-10-[(2-methylpropan-2-yl)oxy]-6,10-dioxodecanoic acid
CID 167547137
(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
CID 102026478
4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-N-(5-oxopentan-2-yl)benzamide
CID 91317272
acetyl chloride;2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
CID 139392161

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid?
The IUPAC name of 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid (CID 161346739) is 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid?
The canonical SMILES for 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid is C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1C.C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1OC.CC(C)=CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C)CCC(=O)O)cc1C.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1ccoc1)Cc1cnc2nc(N)nc(N)c2n1.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1cnc2nc(N)nc(N)c2n1)CC(C)(C)C.Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1N(Cc1cnc2nc(N)nc(N)c2n1)CC1CC1.
What is the InChIKey of 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid?
The InChIKey is VNJZNGNREKXGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O4.C25H34N8O3.C25H32N8O3.C24H30N8O3.C23H26N8O4.C23H26N8O3/c1-14-9-17(24(36)29-15(2)3-6-20(34)35)4-5-19(14)33(11-16-7-8-37-13-16)12-18-10-28-23-21(30-18)22(26)31-25(27)32-23;1-14-10-16(23(36)29-15(2)6-9-19(34)35)7-8-18(14)33(13-25(3,4)5)12-17-11-28-22-20(30-17)21(26)31-24(27)32-22;1-14(2)9-10-33(13-18-12-28-23-21(30-18)22(26)31-25(27)32-23)19-7-6-17(11-15(19)3)24(36)29-16(4)5-8-20(34)35;1-13-9-16(23(35)28-14(2)3-8-19(33)34)6-7-18(13)32(11-15-4-5-15)12-17-10-27-22-20(29-17)21(25)30-24(26)31-22;1-4-9-31(12-15-11-26-21-19(28-15)20(24)29-23(25)30-21)16-7-6-14(10-17(16)35-3)22(34)27-13(2)5-8-18(32)33;1-4-9-31(12-16-11-26-21-19(28-16)20(24)29-23(25)30-21)17-7-6-15(10-13(17)2)22(34)27-14(3)5-8-18(32)33/h4-5,7-10,13,15H,3,6,11-12H2,1-2H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);7-8,10-11,15H,6,9,12-13H2,1-5H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);6-7,9,11-12,16H,5,8,10,13H2,1-4H3,(H,29,36)(H,34,35)(H4,26,27,28,31,32);6-7,9-10,14-15H,3-5,8,11-12H2,1-2H3,(H,28,35)(H,33,34)(H4,25,26,27,30,31);1,6-7,10-11,13H,5,8-9,12H2,2-3H3,(H,27,34)(H,32,33)(H4,24,25,26,29,30);1,6-7,10-11,14H,5,8-9,12H2,2-3H3,(H,27,34)(H,32,33)(H4,24,25,26,29,30).
What are the key properties of 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid?
4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid has a molecular weight of 2911.32 g/mol, XLogP of 13.48, 58 rotatable bonds, 24 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[cyclopropylmethyl-[(2,4-diaminopteridin-6-yl)methyl]amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(2,2-dimethylpropyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(furan-3-ylmethyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-(3-methylbut-2-enyl)amino]-3-methylbenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methoxybenzoyl]amino]pentanoic acid;4-[[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]-3-methylbenzoyl]amino]pentanoic acid is sourced from PubChem (CID 161346739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).