(2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid

C29H33N3O4 — CID 57165599

IUPAC(2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid
SMILESC[C@H](c1ccc(CC(N)=O)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCN)C(=O)O
InChIInChI=1S/C29H33N3O4/c1-20(22-16-14-21(15-17-22)19-26(31)33)32(25(29(35)36)13-8-18-30)28(34)27(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,20,25,27H,8,13,18-19,30H2,1H3,(H2,31,33)(H,35,36)/t20-,25-/m1/s1
InChIKeyBTRMUSLCLORGKT-CJFMBICVSA-N
MW487.60 g/mol
LogP3.63
Rot. Bonds12

About (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid

(2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid (PubChem CID 57165599) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid
PubChem CID57165599
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name(2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid
SMILESC[C@H](c1ccc(CC(N)=O)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCN)C(=O)O
InChIInChI=1S/C29H33N3O4/c1-20(22-16-14-21(15-17-22)19-26(31)33)32(25(29(35)36)13-8-18-30)28(34)27(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,20,25,27H,8,13,18-19,30H2,1H3,(H2,31,33)(H,35,36)/t20-,25-/m1/s1
InChIKeyBTRMUSLCLORGKT-CJFMBICVSA-N
XLogP3.63
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 57104835
(2R)-5-[carbamimidoyl(ethyl)amino]-2-[(2,2-diphenylacetyl)-[(1R)-1-(4-methoxyphenyl)ethyl]amino]pentanoic acid
CID 149431911
(2R)-5-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]pentanamide
CID 54167269
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]hexanamide
CID 57028880
benzyl N-[(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(1S)-1-(4-methoxyphenyl)ethyl]amino]pentanoyl]-N-phenylmethoxycarbonylcarbamate
CID 57205788
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(1R)-1-(4-methoxyphenyl)ethyl]amino]-N-ethylpentanamide
CID 54165273
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
(2S)-2-amino-N,N-bis[(1S)-1-phenylethyl]propanamide
CID 101049938
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
(2R)-6-amino-2-[(2,2-diphenylacetyl)-[(4-methoxyphenyl)methyl]amino]hexanamide;2,2,2-trifluoroacetic acid
CID 70280560
benzyl N-[(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)-[(1S)-1-(3-methoxyphenyl)ethyl]amino]pentanoyl]-N-phenylmethoxycarbonylcarbamate
CID 57106675

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid (CID 57165599) is (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid is C[C@H](c1ccc(CC(N)=O)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCN)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid?
The InChIKey is BTRMUSLCLORGKT-CJFMBICVSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-20(22-16-14-21(15-17-22)19-26(31)33)32(25(29(35)36)13-8-18-30)28(34)27(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,20,25,27H,8,13,18-19,30H2,1H3,(H2,31,33)(H,35,36)/t20-,25-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid?
(2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid has a molecular weight of 487.60 g/mol, XLogP of 3.63, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[(1R)-1-[4-(2-amino-2-oxoethyl)phenyl]ethyl]-(2,2-diphenylacetyl)amino]pentanoic acid is sourced from PubChem (CID 57165599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).