(4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

C18H29N5O11 — CID 175852688

IUPAC(4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SMILESNC[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C18H29N5O11/c19-7-11(18(33)34)23-17(32)10(3-6-14(28)29)22-16(31)9(2-5-13(26)27)21-15(30)8(20)1-4-12(24)25/h8-11H,1-7,19-20H2,(H,21,30)(H,22,31)(H,23,32)(H,24,25)(H,26,27)(H,28,29)(H,33,34)/t8-,9-,10-,11-/m1/s1
InChIKeyOOABNPVPLJWKFZ-GWOFURMSSA-N
MW491.45 g/mol
LogP-3.59
Rot. Bonds17

About (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

(4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 175852688) has the molecular formula C18H29N5O11 and a molecular weight of 491.45 g/mol. Its IUPAC name is (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
PubChem CID175852688
Molecular FormulaC18H29N5O11
Molecular Weight491.45 g/mol
Exact Mass491.19
IUPAC Name(4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SMILESNC[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C18H29N5O11/c19-7-11(18(33)34)23-17(32)10(3-6-14(28)29)22-16(31)9(2-5-13(26)27)21-15(30)8(20)1-4-12(24)25/h8-11H,1-7,19-20H2,(H,21,30)(H,22,31)(H,23,32)(H,24,25)(H,26,27)(H,28,29)(H,33,34)/t8-,9-,10-,11-/m1/s1
InChIKeyOOABNPVPLJWKFZ-GWOFURMSSA-N
XLogP-3.59
TPSA288.54 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.45
LogP ≤ 5-3.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-amino-5-[[(1S)-2-amino-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 138674221
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 67053722
4-amino-5-[[5-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 18220251
2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 22698681
4-amino-5-[[1-[[5-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18263776
2-[[2-[[5-amino-2-[(2-amino-4-carboxybutanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18264939
2-[[5-amino-2-[[2-[(2-amino-4-carboxybutanoyl)amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid
CID 18263773
2-[[4-amino-2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 18263297
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87874231
4-amino-5-[[5-amino-1-[[5-amino-1-[(1-carboxy-2-hydroxyethyl)amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 18264971
4-amino-5-[[4-carboxy-1-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264538
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 177464935

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid (CID 175852688) is (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is NC[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](N)CCC(=O)O)C(=O)O.
What is the InChIKey of (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is OOABNPVPLJWKFZ-GWOFURMSSA-N. The full InChI is InChI=1S/C18H29N5O11/c19-7-11(18(33)34)23-17(32)10(3-6-14(28)29)22-16(31)9(2-5-13(26)27)21-15(30)8(20)1-4-12(24)25/h8-11H,1-7,19-20H2,(H,21,30)(H,22,31)(H,23,32)(H,24,25)(H,26,27)(H,28,29)(H,33,34)/t8-,9-,10-,11-/m1/s1.
What are the key properties of (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid?
(4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 491.45 g/mol, XLogP of -3.59, 17 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-[[(2R)-1-[[(2R)-1-[[(1R)-2-amino-1-carboxyethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 175852688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).