2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid

C25H43N9O11 — CID 11707275

IUPAC2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid
SMILESCC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C25H43N9O11/c1-12(2)6-15(32-18(37)7-26)24(44)29-9-20(39)33-16(11-35)25(45)34-14(4-5-17(27)36)23(43)28-8-19(38)31-13(3)22(42)30-10-21(40)41/h12-16,35H,4-11,26H2,1-3H3,(H2,27,36)(H,28,43)(H,29,44)(H,30,42)(H,31,38)(H,32,37)(H,33,39)(H,34,45)(H,40,41)/t13-,14-,15-,16-/m0/s1
InChIKeyZIIGSNNDMNELBX-VGWMRTNUSA-N
MW645.67 g/mol
LogP-6.36
Rot. Bonds21

About 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid

2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid (PubChem CID 11707275) has the molecular formula C25H43N9O11 and a molecular weight of 645.67 g/mol. Its IUPAC name is 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid
PubChem CID11707275
Molecular FormulaC25H43N9O11
Molecular Weight645.67 g/mol
Exact Mass645.31
IUPAC Name2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid
SMILESCC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C25H43N9O11/c1-12(2)6-15(32-18(37)7-26)24(44)29-9-20(39)33-16(11-35)25(45)34-14(4-5-17(27)36)23(43)28-8-19(38)31-13(3)22(42)30-10-21(40)41/h12-16,35H,4-11,26H2,1-3H3,(H2,27,36)(H,28,43)(H,29,44)(H,30,42)(H,31,38)(H,32,37)(H,33,39)(H,34,45)(H,40,41)/t13-,14-,15-,16-/m0/s1
InChIKeyZIIGSNNDMNELBX-VGWMRTNUSA-N
XLogP-6.36
TPSA330.34 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500645.67
LogP ≤ 5-6.36
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic 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

2-[[5-amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 18488807
(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
2-[[5-amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18488815
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 134825272
2-[[2-[[2-[[2-[[5-amino-2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
CID 21226188
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
CID 175735933
(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
2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 162844718
2-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 18490644
2-[[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]acetic acid
CID 7020055
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 162980336
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
CID 71356850

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid (CID 11707275) is 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid is CC(C)C[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid?
The InChIKey is ZIIGSNNDMNELBX-VGWMRTNUSA-N. The full InChI is InChI=1S/C25H43N9O11/c1-12(2)6-15(32-18(37)7-26)24(44)29-9-20(39)33-16(11-35)25(45)34-14(4-5-17(27)36)23(43)28-8-19(38)31-13(3)22(42)30-10-21(40)41/h12-16,35H,4-11,26H2,1-3H3,(H2,27,36)(H,28,43)(H,29,44)(H,30,42)(H,31,38)(H,32,37)(H,33,39)(H,34,45)(H,40,41)/t13-,14-,15-,16-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid?
2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid has a molecular weight of 645.67 g/mol, XLogP of -6.36, 21 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 11707275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).