(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide

C25H30N4O3 — CID 67565119

IUPAC(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide
SMILESCN(C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](CCCN)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H30N4O3/c1-29(25(32)22(27)15-17-8-12-21(30)13-9-17)23(7-4-14-26)24(31)28-20-11-10-18-5-2-3-6-19(18)16-20/h2-3,5-6,8-13,16,22-23,30H,4,7,14-15,26-27H2,1H3,(H,28,31)/t22-,23-/m0/s1
InChIKeyCTSIHIQSSPEWTE-GOTSBHOMSA-N
MW434.54 g/mol
LogP2.62
Rot. Bonds9

About (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide

(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide (PubChem CID 67565119) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide
PubChem CID67565119
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide
SMILESCN(C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](CCCN)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H30N4O3/c1-29(25(32)22(27)15-17-8-12-21(30)13-9-17)23(7-4-14-26)24(31)28-20-11-10-18-5-2-3-6-19(18)16-20/h2-3,5-6,8-13,16,22-23,30H,4,7,14-15,26-27H2,1H3,(H,28,31)/t22-,23-/m0/s1
InChIKeyCTSIHIQSSPEWTE-GOTSBHOMSA-N
XLogP2.62
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-N-quinolin-3-ylpentanamide
CID 10002169
(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-hydroxyacetyl)amino]-4-methylsulfanyl-N-naphthalen-2-ylbutanamide
CID 18596461
carbonic acid;(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide
CID 90473324
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]acetic acid
CID 24877836
5-amino-2-[(2-amino-3-naphthalen-1-ylpropanoyl)-methylamino]-N-benzylpentanamide;2,2,2-trifluoroacetic acid
CID 23299160
(2R)-2,5-diamino-N-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]-N-(3-phenylpropyl)pentanamide;2,2,2-trifluoroacetic acid
CID 67564937
5-amino-2-[(2-aminoacetyl)-(2-phenylethyl)amino]-N-naphthalen-2-ylpentanamide;2,2,2-trifluoroacetic acid
CID 23299307
(2S)-2,5-diamino-N-[(2S)-1-naphthalen-2-yl-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
CID 170783507
(2S)-2,5-diamino-N-[(2S)-1-(4-tert-butylphenyl)-4-(naphthalen-2-ylamino)-4-oxobutan-2-yl]pentanamide
CID 170783524
(2S)-2,5-diamino-N-[(2S)-4-(naphthalen-2-ylamino)-4-oxo-1-(4-phenylmethoxyphenyl)butan-2-yl]pentanamide
CID 170783522
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide?
The IUPAC name of (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide (CID 67565119) is (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide.
What is the SMILES notation for (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide?
The canonical SMILES for (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide is CN(C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](CCCN)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide?
The InChIKey is CTSIHIQSSPEWTE-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-29(25(32)22(27)15-17-8-12-21(30)13-9-17)23(7-4-14-26)24(31)28-20-11-10-18-5-2-3-6-19(18)16-20/h2-3,5-6,8-13,16,22-23,30H,4,7,14-15,26-27H2,1H3,(H,28,31)/t22-,23-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide?
(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide has a molecular weight of 434.54 g/mol, XLogP of 2.62, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-N-naphthalen-2-ylpentanamide is sourced from PubChem (CID 67565119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).