3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

C33H59N9O11 — CID 19977398

IUPAC3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(N)C(C)O)C(C)C)C(=O)NC(CCC(N)=O)C(N)=O
InChIInChI=1S/C33H59N9O11/c1-9-16(6)26(33(53)38-19(27(36)47)10-11-22(34)44)42-28(48)17(7)37-32(52)25(15(4)5)41-30(50)20(12-14(2)3)39-29(49)21(13-23(45)46)40-31(51)24(35)18(8)43/h14-21,24-26,43H,9-13,35H2,1-8H3,(H2,34,44)(H2,36,47)(H,37,52)(H,38,53)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,45,46)
InChIKeyIZBVXCQDLSJXAZ-UHFFFAOYSA-N
MW757.89 g/mol
LogP-3.40
Rot. Bonds24

About 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 19977398) has the molecular formula C33H59N9O11 and a molecular weight of 757.89 g/mol. Its IUPAC name is 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
PubChem CID19977398
Molecular FormulaC33H59N9O11
Molecular Weight757.89 g/mol
Exact Mass757.43
IUPAC Name3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(N)C(C)O)C(C)C)C(=O)NC(CCC(N)=O)C(N)=O
InChIInChI=1S/C33H59N9O11/c1-9-16(6)26(33(53)38-19(27(36)47)10-11-22(34)44)42-28(48)17(7)37-32(52)25(15(4)5)41-30(50)20(12-14(2)3)39-29(49)21(13-23(45)46)40-31(51)24(35)18(8)43/h14-21,24-26,43H,9-13,35H2,1-8H3,(H2,34,44)(H2,36,47)(H,37,52)(H,38,53)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,45,46)
InChIKeyIZBVXCQDLSJXAZ-UHFFFAOYSA-N
XLogP-3.40
TPSA344.33 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 5-3.40
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 10284969
(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 10213272
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
CID 71522866
5-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 19941841
(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 11387928
(4S)-5-amino-4-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 54009339
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 18748762
5-amino-2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 19941721
(4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-[[2-[[(1S)-1-carboxyethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 10235844
(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 16665430
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 175639645
(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]butanediamide
CID 71312119

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid (CID 19977398) is 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is CCC(C)C(NC(=O)C(C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(N)C(C)O)C(C)C)C(=O)NC(CCC(N)=O)C(N)=O.
What is the InChIKey of 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is IZBVXCQDLSJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H59N9O11/c1-9-16(6)26(33(53)38-19(27(36)47)10-11-22(34)44)42-28(48)17(7)37-32(52)25(15(4)5)41-30(50)20(12-14(2)3)39-29(49)21(13-23(45)46)40-31(51)24(35)18(8)43/h14-21,24-26,43H,9-13,35H2,1-8H3,(H2,34,44)(H2,36,47)(H,37,52)(H,38,53)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,45,46).
What are the key properties of 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 757.89 g/mol, XLogP of -3.40, 24 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-hydroxybutanoyl)amino]-4-[[1-[[1-[[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 19977398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).