2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid

C42H69N15O20 — CID 10290638

IUPAC2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
SMILESC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O
InChIInChI=1S/C42H69N15O20/c1-18(51-29(65)14-50-41(76)33(21(4)60)57-40(75)25(17-59)55-38(73)23-7-6-8-43-23)35(70)47-9-27(63)45-13-31(67)56-34(22(5)61)42(77)53-20(3)37(72)48-10-26(62)44-12-30(66)54-24(16-58)39(74)52-19(2)36(71)49-11-28(64)46-15-32(68)69/h18-25,33-34,43,58-61H,6-17H2,1-5H3,(H,44,62)(H,45,63)(H,46,64)(H,47,70)(H,48,72)(H,49,71)(H,50,76)(H,51,65)(H,52,74)(H,53,77)(H,54,66)(H,55,73)(H,56,67)(H,57,75)(H,68,69)/t18-,19-,20-,21+,22+,23-,24-,25-,33-,34-/m0/s1
InChIKeyYKIQVJQSRJAVAA-BUWDWXSOSA-N
MW1104.10 g/mol
LogP-13.16
Rot. Bonds33

About 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid

2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid (PubChem CID 10290638) has the molecular formula C42H69N15O20 and a molecular weight of 1104.10 g/mol. Its IUPAC name is 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
PubChem CID10290638
Molecular FormulaC42H69N15O20
Molecular Weight1104.10 g/mol
Exact Mass1103.48
IUPAC Name2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
SMILESC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O
InChIInChI=1S/C42H69N15O20/c1-18(51-29(65)14-50-41(76)33(21(4)60)57-40(75)25(17-59)55-38(73)23-7-6-8-43-23)35(70)47-9-27(63)45-13-31(67)56-34(22(5)61)42(77)53-20(3)37(72)48-10-26(62)44-12-30(66)54-24(16-58)39(74)52-19(2)36(71)49-11-28(64)46-15-32(68)69/h18-25,33-34,43,58-61H,6-17H2,1-5H3,(H,44,62)(H,45,63)(H,46,64)(H,47,70)(H,48,72)(H,49,71)(H,50,76)(H,51,65)(H,52,74)(H,53,77)(H,54,66)(H,55,73)(H,56,67)(H,57,75)(H,68,69)/t18-,19-,20-,21+,22+,23-,24-,25-,33-,34-/m0/s1
InChIKeyYKIQVJQSRJAVAA-BUWDWXSOSA-N
XLogP-13.16
TPSA537.65 Ų
H-Bond Donors20
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.10
LogP ≤ 5-13.16
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1020

Analyze 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]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-[[(2S,3R)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]acetic acid
CID 175905692
2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
CID 145457589
3-hydroxy-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanoic acid
CID 18223703
2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
CID 18223425
(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 10124356
(4S)-5-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 10796588
(2S,3R)-3-hydroxy-2-[[2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 175911155
(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid
CID 145457597
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 46947698
(2S)-2-[[(2S)-3-methyl-2-[[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]butanoyl]amino]propanoic acid
CID 25126477
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoic acid
CID 10211364
(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoic acid
CID 145457476

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid (CID 10290638) is 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid is C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)O.
What is the InChIKey of 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid?
The InChIKey is YKIQVJQSRJAVAA-BUWDWXSOSA-N. The full InChI is InChI=1S/C42H69N15O20/c1-18(51-29(65)14-50-41(76)33(21(4)60)57-40(75)25(17-59)55-38(73)23-7-6-8-43-23)35(70)47-9-27(63)45-13-31(67)56-34(22(5)61)42(77)53-20(3)37(72)48-10-26(62)44-12-30(66)54-24(16-58)39(74)52-19(2)36(71)49-11-28(64)46-15-32(68)69/h18-25,33-34,43,58-61H,6-17H2,1-5H3,(H,44,62)(H,45,63)(H,46,64)(H,47,70)(H,48,72)(H,49,71)(H,50,76)(H,51,65)(H,52,74)(H,53,77)(H,54,66)(H,55,73)(H,56,67)(H,57,75)(H,68,69)/t18-,19-,20-,21+,22+,23-,24-,25-,33-,34-/m0/s1.
What are the key properties of 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 1104.10 g/mol, XLogP of -13.16, 33 rotatable bonds, 20 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 10290638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).