(2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid

C17H32N4O6 — CID 5487156

IUPAC(2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C17H32N4O6/c1-10(13(22)20-11(2)15(24)25)19-14(23)12(8-6-7-9-18)21-16(26)27-17(3,4)5/h10-12H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)(H,21,26)(H,24,25)/t10-,11-,12+/m1/s1
InChIKeyYQYPUXOSVICIIR-UTUOFQBUSA-N
MW388.47 g/mol
LogP0.10
Rot. Bonds10

About (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid

(2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid (PubChem CID 5487156) has the molecular formula C17H32N4O6 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid
PubChem CID5487156
Molecular FormulaC17H32N4O6
Molecular Weight388.47 g/mol
Exact Mass388.23
IUPAC Name(2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C17H32N4O6/c1-10(13(22)20-11(2)15(24)25)19-14(23)12(8-6-7-9-18)21-16(26)27-17(3,4)5/h10-12H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)(H,21,26)(H,24,25)/t10-,11-,12+/m1/s1
InChIKeyYQYPUXOSVICIIR-UTUOFQBUSA-N
XLogP0.10
TPSA159.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid with MolForge

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Related Compounds

Lys-Ala
CID 7010504
Lys-Ile-Lys
CID 444446
Lys-Val-Lys
CID 448140
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine
CID 100148
Lysyllysyllysine
CID 72363
H-Lys-Leu-Lys-OH
CID 444506
FR 112123
CID 5492651
(Ac)2-L-Lysyl-D-alanyl-D-alanine
CID 152678
Lysyl-norvalyl-lysine
CID 444477
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 444487
H-Ala-Leu-Ala-Lys-Ala-Ala-Ala-Ala-Ala-OH
CID 44345684

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid (CID 5487156) is (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid is C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid?
The InChIKey is YQYPUXOSVICIIR-UTUOFQBUSA-N. The full InChI is InChI=1S/C17H32N4O6/c1-10(13(22)20-11(2)15(24)25)19-14(23)12(8-6-7-9-18)21-16(26)27-17(3,4)5/h10-12H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)(H,21,26)(H,24,25)/t10-,11-,12+/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid has a molecular weight of 388.47 g/mol, XLogP of 0.10, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 5487156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).