(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid

C23H44N8O8 — CID 16755668

IUPAC(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid
SMILESCC(C)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C23H44N8O8/c1-11(2)18(31-19(34)13(6-4-8-24)28-21(36)17(27)12(3)32)22(37)30-15(10-16(26)33)20(35)29-14(23(38)39)7-5-9-25/h11-15,17-18,32H,4-10,24-25,27H2,1-3H3,(H2,26,33)(H,28,36)(H,29,35)(H,30,37)(H,31,34)(H,38,39)/t12-,13+,14+,15+,17+,18+/m1/s1
InChIKeyLPYIJKFYYSHUSW-NTZVIRLSSA-N
MW560.65 g/mol
LogP-4.27
Rot. Bonds19

About (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid

(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid (PubChem CID 16755668) has the molecular formula C23H44N8O8 and a molecular weight of 560.65 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid
PubChem CID16755668
Molecular FormulaC23H44N8O8
Molecular Weight560.65 g/mol
Exact Mass560.33
IUPAC Name(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid
SMILESCC(C)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C23H44N8O8/c1-11(2)18(31-19(34)13(6-4-8-24)28-21(36)17(27)12(3)32)22(37)30-15(10-16(26)33)20(35)29-14(23(38)39)7-5-9-25/h11-15,17-18,32H,4-10,24-25,27H2,1-3H3,(H2,26,33)(H,28,36)(H,29,35)(H,30,37)(H,31,34)(H,38,39)/t12-,13+,14+,15+,17+,18+/m1/s1
InChIKeyLPYIJKFYYSHUSW-NTZVIRLSSA-N
XLogP-4.27
TPSA295.08 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 5-4.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-amino-2-[[6-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
CID 19941878
4-amino-2-[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18749492
2-[[2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid
CID 18746278
2-[[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18749868
4-amino-2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-methylbutanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
CID 18310063
5-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 19941721
2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 19940516
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 175735156
4-amino-5-[[6-amino-1-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 22697366
6-amino-2-[[4-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
CID 18301982
6-amino-2-[[2-[[4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
CID 18255674
6-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
CID 19940568

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid (CID 16755668) is (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid is CC(C)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid?
The InChIKey is LPYIJKFYYSHUSW-NTZVIRLSSA-N. The full InChI is InChI=1S/C23H44N8O8/c1-11(2)18(31-19(34)13(6-4-8-24)28-21(36)17(27)12(3)32)22(37)30-15(10-16(26)33)20(35)29-14(23(38)39)7-5-9-25/h11-15,17-18,32H,4-10,24-25,27H2,1-3H3,(H2,26,33)(H,28,36)(H,29,35)(H,30,37)(H,31,34)(H,38,39)/t12-,13+,14+,15+,17+,18+/m1/s1.
What are the key properties of (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid?
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid has a molecular weight of 560.65 g/mol, XLogP of -4.27, 19 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]pentanoic acid is sourced from PubChem (CID 16755668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).