2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide

C22H38N10O10 — CID 14369426

IUPAC2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide
SMILESCC(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(N)CCC(N)=O)C(N)=O
InChIInChI=1S/C22H38N10O10/c1-9(18(26)38)29-19(39)10(2)30-21(41)12(5-15(25)35)32-22(42)13(8-33)31-17(37)7-27-16(36)6-28-20(40)11(23)3-4-14(24)34/h9-13,33H,3-8,23H2,1-2H3,(H2,24,34)(H2,25,35)(H2,26,38)(H,27,36)(H,28,40)(H,29,39)(H,30,41)(H,31,37)(H,32,42)
InChIKeyFIHLYNVMPQHTKZ-UHFFFAOYSA-N
MW602.61 g/mol
LogP-7.86
Rot. Bonds19

About 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide

2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide (PubChem CID 14369426) has the molecular formula C22H38N10O10 and a molecular weight of 602.61 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide.

Molecular Properties

Compound Name2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide
PubChem CID14369426
Molecular FormulaC22H38N10O10
Molecular Weight602.61 g/mol
Exact Mass602.28
IUPAC Name2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide
SMILESCC(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(N)CCC(N)=O)C(N)=O
InChIInChI=1S/C22H38N10O10/c1-9(18(26)38)29-19(39)10(2)30-21(41)12(5-15(25)35)32-22(42)13(8-33)31-17(37)7-27-16(36)6-28-20(40)11(23)3-4-14(24)34/h9-13,33H,3-8,23H2,1-2H3,(H2,24,34)(H2,25,35)(H2,26,38)(H,27,36)(H,28,40)(H,29,39)(H,30,41)(H,31,37)(H,32,42)
InChIKeyFIHLYNVMPQHTKZ-UHFFFAOYSA-N
XLogP-7.86
TPSA350.12 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500602.61
LogP ≤ 5-7.86
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide with MolForge

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Related Compounds

(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 10284364
(4S)-4-amino-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[2-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 10284369
(4S)-4-amino-5-[[(2S)-5-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 175819957
(4S)-4-amino-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[2-[[(2S)-1-[(3-amino-3-oxopropyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 10147447
5-amino-2-[[2-[2-[[4-amino-2-[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoic acid
CID 21293219
4-amino-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18482896
(4S)-4-amino-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 10123602
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 18479868
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
CID 18479863
(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 71417636
4-amino-5-[[1-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 22698578
(3S)-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid
CID 10284886

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide?
The IUPAC name of 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide (CID 14369426) is 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide.
What is the SMILES notation for 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide?
The canonical SMILES for 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide is CC(NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(N)CCC(N)=O)C(N)=O.
What is the InChIKey of 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide?
The InChIKey is FIHLYNVMPQHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N10O10/c1-9(18(26)38)29-19(39)10(2)30-21(41)12(5-15(25)35)32-22(42)13(8-33)31-17(37)7-27-16(36)6-28-20(40)11(23)3-4-14(24)34/h9-13,33H,3-8,23H2,1-2H3,(H2,24,34)(H2,25,35)(H2,26,38)(H,27,36)(H,28,40)(H,29,39)(H,30,41)(H,31,37)(H,32,42).
What are the key properties of 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide?
2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide has a molecular weight of 602.61 g/mol, XLogP of -7.86, 19 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide is sourced from PubChem (CID 14369426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).