(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid

C13H24N4O8 — CID 142697405

IUPAC(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESC[C@H](O)[C@H](N)C(=O)NCC(=O)N(C(=O)[C@@H](N)[C@@H](C)O)[C@@H](CO)C(=O)O
InChIInChI=1S/C13H24N4O8/c1-5(19)9(14)11(22)16-3-8(21)17(7(4-18)13(24)25)12(23)10(15)6(2)20/h5-7,9-10,18-20H,3-4,14-15H2,1-2H3,(H,16,22)(H,24,25)/t5-,6+,7-,9-,10-/m0/s1
InChIKeyYADQCSVURPWCGP-ZVKZPEPKSA-N
MW364.36 g/mol
LogP-4.68
Rot. Bonds9

About (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 142697405) has the molecular formula C13H24N4O8 and a molecular weight of 364.36 g/mol. Its IUPAC name is (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
PubChem CID142697405
Molecular FormulaC13H24N4O8
Molecular Weight364.36 g/mol
Exact Mass364.16
IUPAC Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESC[C@H](O)[C@H](N)C(=O)NCC(=O)N(C(=O)[C@@H](N)[C@@H](C)O)[C@@H](CO)C(=O)O
InChIInChI=1S/C13H24N4O8/c1-5(19)9(14)11(22)16-3-8(21)17(7(4-18)13(24)25)12(23)10(15)6(2)20/h5-7,9-10,18-20H,3-4,14-15H2,1-2H3,(H,16,22)(H,24,25)/t5-,6+,7-,9-,10-/m0/s1
InChIKeyYADQCSVURPWCGP-ZVKZPEPKSA-N
XLogP-4.68
TPSA216.51 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 5-4.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-iodoamino]-3-hydroxypropanoic acid
CID 175868068
(2S)-2-[[2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 25121074
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
(2S)-2-[[(2S)-2-[[(2R)-2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 87620003
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 145458197
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 18224326
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]acetic acid
CID 18745403
2-[bis(2-amino-3-hydroxybutanoyl)amino]-3-hydroxybutanoic acid
CID 87844230
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
CID 18751384
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18748051
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 56960444
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 19941959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid (CID 142697405) is (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid is C[C@H](O)[C@H](N)C(=O)NCC(=O)N(C(=O)[C@@H](N)[C@@H](C)O)[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is YADQCSVURPWCGP-ZVKZPEPKSA-N. The full InChI is InChI=1S/C13H24N4O8/c1-5(19)9(14)11(22)16-3-8(21)17(7(4-18)13(24)25)12(23)10(15)6(2)20/h5-7,9-10,18-20H,3-4,14-15H2,1-2H3,(H,16,22)(H,24,25)/t5-,6+,7-,9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 364.36 g/mol, XLogP of -4.68, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]-[2-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 142697405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).