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

C14H22N6O6 — CID 66840253

IUPAC(4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
SMILESNC(=O)CC[C@H](N)C(=O)C1NC(=O)C(C(=O)[C@@H](N)CCC(N)=O)NC1=O
InChIInChI=1S/C14H22N6O6/c15-5(1-3-7(17)21)11(23)9-13(25)20-10(14(26)19-9)12(24)6(16)2-4-8(18)22/h5-6,9-10H,1-4,15-16H2,(H2,17,21)(H2,18,22)(H,19,26)(H,20,25)/t5-,6-,9?,10?/m0/s1
InChIKeyUIXIKDDMPBSCCL-SQIYRPLWSA-N
MW370.37 g/mol
LogP-4.71
Rot. Bonds10

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

(4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide (PubChem CID 66840253) has the molecular formula C14H22N6O6 and a molecular weight of 370.37 g/mol. Its IUPAC name is (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
PubChem CID66840253
Molecular FormulaC14H22N6O6
Molecular Weight370.37 g/mol
Exact Mass370.16
IUPAC Name(4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
SMILESNC(=O)CC[C@H](N)C(=O)C1NC(=O)C(C(=O)[C@@H](N)CCC(N)=O)NC1=O
InChIInChI=1S/C14H22N6O6/c15-5(1-3-7(17)21)11(23)9-13(25)20-10(14(26)19-9)12(24)6(16)2-4-8(18)22/h5-6,9-10H,1-4,15-16H2,(H2,17,21)(H2,18,22)(H,19,26)(H,20,25)/t5-,6-,9?,10?/m0/s1
InChIKeyUIXIKDDMPBSCCL-SQIYRPLWSA-N
XLogP-4.71
TPSA230.56 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 5-4.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Related Compounds

4-amino-5-[5-(2-amino-4-carboxybutanoyl)-3,6-dioxopiperazin-2-yl]-5-oxopentanoic acid
CID 66840251
(4S)-4-amino-5-[1-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
CID 118071895
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
2,5-diamino-5-oxopentanoic acid
CID 738
aluminum 2,5-diamino-5-oxopentanoic acid
CID 20532187
2,5-diamino-5-oxopentanoic acid;dihydrochloride
CID 174895279
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641
3-(3-oxoaziridin-2-yl)propanamide
CID 129164942
2,5-diamino-5-oxopentanoic acid;oxalic acid
CID 22114581

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
The IUPAC name of (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide (CID 66840253) is (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide.
What is the SMILES notation for (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
The canonical SMILES for (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide is NC(=O)CC[C@H](N)C(=O)C1NC(=O)C(C(=O)[C@@H](N)CCC(N)=O)NC1=O.
What is the InChIKey of (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
The InChIKey is UIXIKDDMPBSCCL-SQIYRPLWSA-N. The full InChI is InChI=1S/C14H22N6O6/c15-5(1-3-7(17)21)11(23)9-13(25)20-10(14(26)19-9)12(24)6(16)2-4-8(18)22/h5-6,9-10H,1-4,15-16H2,(H2,17,21)(H2,18,22)(H,19,26)(H,20,25)/t5-,6-,9?,10?/m0/s1.
What are the key properties of (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide?
(4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide has a molecular weight of 370.37 g/mol, XLogP of -4.71, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide is sourced from PubChem (CID 66840253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).