(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

C17H32N4O4 — CID 10473477

IUPAC(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C17H32N4O4/c1-11(2)10-12(19)15(22)20-13(6-3-4-8-18)16(23)21-9-5-7-14(21)17(24)25/h11-14H,3-10,18-19H2,1-2H3,(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1
InChIKeyRTIRBWJPYJYTLO-IHRRRGAJSA-N
MW356.47 g/mol
LogP0.05
Rot. Bonds10

About (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10473477) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10473477
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Name(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C17H32N4O4/c1-11(2)10-12(19)15(22)20-13(6-3-4-8-18)16(23)21-9-5-7-14(21)17(24)25/h11-14H,3-10,18-19H2,1-2H3,(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1
InChIKeyRTIRBWJPYJYTLO-IHRRRGAJSA-N
XLogP0.05
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

Diprotin A
CID 94701
Leu-Pro
CID 80817
Larazotide
CID 9810532
Lucinactant
CID 145722609
L-Lysyl-L-proline
CID 171204
Lysyl-Leucine
CID 7016103
Ile-Pro
CID 444876
Val-Pro-Pro
CID 9818200
Ac-Leu-Leu-Norleucinol
CID 446403
(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 10222526
Palmitoyl Hexapeptide-12
CID 10212452
L-Valyl-L-prolyl-L-leucine
CID 146208

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid (CID 10473477) is (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid is CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RTIRBWJPYJYTLO-IHRRRGAJSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-11(2)10-12(19)15(22)20-13(6-3-4-8-18)16(23)21-9-5-7-14(21)17(24)25/h11-14H,3-10,18-19H2,1-2H3,(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1.
What are the key properties of (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 356.47 g/mol, XLogP of 0.05, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10473477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).