(4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide

C14H22N6O6 — CID 118071895

IUPAC(4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
SMILESNC(=O)CC[C@H](N)C(=O)C1C(=O)NCC(=O)N1C(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C14H22N6O6/c15-6(1-3-8(17)21)12(24)11-13(25)19-5-10(23)20(11)14(26)7(16)2-4-9(18)22/h6-7,11H,1-5,15-16H2,(H2,17,21)(H2,18,22)(H,19,25)/t6-,7-,11?/m0/s1
InChIKeyPQJKOEUPIUTKDH-YKFGJVJNSA-N
MW370.37 g/mol
LogP-4.41
Rot. Bonds9

About (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide

(4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide (PubChem CID 118071895) has the molecular formula C14H22N6O6 and a molecular weight of 370.37 g/mol. Its IUPAC name is (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
PubChem CID118071895
Molecular FormulaC14H22N6O6
Molecular Weight370.37 g/mol
Exact Mass370.16
IUPAC Name(4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
SMILESNC(=O)CC[C@H](N)C(=O)C1C(=O)NCC(=O)N1C(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C14H22N6O6/c15-6(1-3-8(17)21)12(24)11-13(25)19-5-10(23)20(11)14(26)7(16)2-4-9(18)22/h6-7,11H,1-5,15-16H2,(H2,17,21)(H2,18,22)(H,19,25)/t6-,7-,11?/m0/s1
InChIKeyPQJKOEUPIUTKDH-YKFGJVJNSA-N
XLogP-4.41
TPSA221.77 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 5-4.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
CID 66840253
benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate
CID 67174945
4-amino-5-[5-(2-amino-4-carboxybutanoyl)-3,6-dioxopiperazin-2-yl]-5-oxopentanoic acid
CID 66840251
2,5-diamino-5-oxopentanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one
CID 57375477
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 11736661
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
The IUPAC name of (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide (CID 118071895) is (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide.
What is the SMILES notation for (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
The canonical SMILES for (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide is NC(=O)CC[C@H](N)C(=O)C1C(=O)NCC(=O)N1C(=O)[C@@H](N)CCC(N)=O.
What is the InChIKey of (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
The InChIKey is PQJKOEUPIUTKDH-YKFGJVJNSA-N. The full InChI is InChI=1S/C14H22N6O6/c15-6(1-3-8(17)21)12(24)11-13(25)19-5-10(23)20(11)14(26)7(16)2-4-9(18)22/h6-7,11H,1-5,15-16H2,(H2,17,21)(H2,18,22)(H,19,25)/t6-,7-,11?/m0/s1.
What are the key properties of (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
(4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide has a molecular weight of 370.37 g/mol, XLogP of -4.41, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide is sourced from PubChem (CID 118071895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).