1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid

C23H34N4O6 — CID 57306510

IUPAC1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H](N)CCCC(N)C(=O)OCc1ccccc1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C23H34N4O6/c1-15(19(28)27-23(22(31)32)12-5-6-13-23)26-20(29)17(24)10-7-11-18(25)21(30)33-14-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14,24-25H2,1H3,(H,26,29)(H,27,28)(H,31,32)/t15-,17-,18?/m0/s1
InChIKeyYMXKZJCYARWRKI-LUIZSJORSA-N
MW462.55 g/mol
LogP0.57
Rot. Bonds12

About 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid

1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 57306510) has the molecular formula C23H34N4O6 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID57306510
Molecular FormulaC23H34N4O6
Molecular Weight462.55 g/mol
Exact Mass462.25
IUPAC Name1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESC[C@H](NC(=O)[C@@H](N)CCCC(N)C(=O)OCc1ccccc1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C23H34N4O6/c1-15(19(28)27-23(22(31)32)12-5-6-13-23)26-20(29)17(24)10-7-11-18(25)21(30)33-14-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14,24-25H2,1H3,(H,26,29)(H,27,28)(H,31,32)/t15-,17-,18?/m0/s1
InChIKeyYMXKZJCYARWRKI-LUIZSJORSA-N
XLogP0.57
TPSA173.84 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 50.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
CID 114929079
1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
7-O-benzyl 1-O-methyl (2S,6R)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate
CID 12045550
methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
7-O-benzyl 1-O-methyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate;hydrochloride
CID 69169633
(3R)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanoic acid
CID 102425705
benzyl (2R)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate;hydrochloride
CID 70414486
1-[(2-amino-5-methoxypentanoyl)amino]cycloheptane-1-carboxylic acid
CID 81089146
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid (CID 57306510) is 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid is C[C@H](NC(=O)[C@@H](N)CCCC(N)C(=O)OCc1ccccc1)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YMXKZJCYARWRKI-LUIZSJORSA-N. The full InChI is InChI=1S/C23H34N4O6/c1-15(19(28)27-23(22(31)32)12-5-6-13-23)26-20(29)17(24)10-7-11-18(25)21(30)33-14-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14,24-25H2,1H3,(H,26,29)(H,27,28)(H,31,32)/t15-,17-,18?/m0/s1.
What are the key properties of 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 462.55 g/mol, XLogP of 0.57, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-[[(2S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoyl]amino]propanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 57306510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).