(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid

C68H130N20O15 — CID 10011756

IUPAC(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C68H130N20O15/c1-61(2,75)53(96)85-62(3,4)54(97)78-41(29-17-23-35-69)47(89)76-43(31-19-25-37-71)49(91)82-66(11,12)58(101)87-64(7,8)56(99)80-45(33-21-27-39-73)51(93)84-68(15,16)60(103)86-63(5,6)55(98)79-42(30-18-24-36-70)48(90)77-44(32-20-26-38-72)50(92)83-67(13,14)59(102)88-65(9,10)57(100)81-46(52(94)95)34-22-28-40-74/h41-46H,17-40,69-75H2,1-16H3,(H,76,89)(H,77,90)(H,78,97)(H,79,98)(H,80,99)(H,81,100)(H,82,91)(H,83,92)(H,84,93)(H,85,96)(H,86,103)(H,87,101)(H,88,102)(H,94,95)/t41-,42-,43-,44-,45-,46-/m0/s1
InChIKeyPBQGMAYTCXAVLF-JSHGGYKJSA-N
MW1467.91 g/mol
LogP-3.25
Rot. Bonds51

About (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid

(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid (PubChem CID 10011756) has the molecular formula C68H130N20O15 and a molecular weight of 1467.91 g/mol. Its IUPAC name is (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid
PubChem CID10011756
Molecular FormulaC68H130N20O15
Molecular Weight1467.91 g/mol
Exact Mass1467.00
IUPAC Name(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid
SMILESCC(C)(N)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C68H130N20O15/c1-61(2,75)53(96)85-62(3,4)54(97)78-41(29-17-23-35-69)47(89)76-43(31-19-25-37-71)49(91)82-66(11,12)58(101)87-64(7,8)56(99)80-45(33-21-27-39-73)51(93)84-68(15,16)60(103)86-63(5,6)55(98)79-42(30-18-24-36-70)48(90)77-44(32-20-26-38-72)50(92)83-67(13,14)59(102)88-65(9,10)57(100)81-46(52(94)95)34-22-28-40-74/h41-46H,17-40,69-75H2,1-16H3,(H,76,89)(H,77,90)(H,78,97)(H,79,98)(H,80,99)(H,81,100)(H,82,91)(H,83,92)(H,84,93)(H,85,96)(H,86,103)(H,87,101)(H,88,102)(H,94,95)/t41-,42-,43-,44-,45-,46-/m0/s1
InChIKeyPBQGMAYTCXAVLF-JSHGGYKJSA-N
XLogP-3.25
TPSA597.74 Ų
H-Bond Donors21
H-Bond Acceptors21
Rotatable Bonds51
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.91
LogP ≤ 5-3.25
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic 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)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid
CID 175821686
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
CID 175780248
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 125032952
6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;tetramethylazanium
CID 174851283
lithium;(2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid;hydride
CID 174851964
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoic acid
CID 102595279
2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]pentanoic acid
CID 88772976
6-amino-2-[[6-amino-2-[2-(2-aminopropanoylamino)propanoylamino]hexanoyl]amino]hexanoic acid
CID 18232813
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid
CID 134824866
(2S)-7-amino-2-[[(2S)-2-aminopropanoyl]amino]heptanoic acid
CID 175695979
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 175870305

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid (CID 10011756) is (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid is CC(C)(N)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid?
The InChIKey is PBQGMAYTCXAVLF-JSHGGYKJSA-N. The full InChI is InChI=1S/C68H130N20O15/c1-61(2,75)53(96)85-62(3,4)54(97)78-41(29-17-23-35-69)47(89)76-43(31-19-25-37-71)49(91)82-66(11,12)58(101)87-64(7,8)56(99)80-45(33-21-27-39-73)51(93)84-68(15,16)60(103)86-63(5,6)55(98)79-42(30-18-24-36-70)48(90)77-44(32-20-26-38-72)50(92)83-67(13,14)59(102)88-65(9,10)57(100)81-46(52(94)95)34-22-28-40-74/h41-46H,17-40,69-75H2,1-16H3,(H,76,89)(H,77,90)(H,78,97)(H,79,98)(H,80,99)(H,81,100)(H,82,91)(H,83,92)(H,84,93)(H,85,96)(H,86,103)(H,87,101)(H,88,102)(H,94,95)/t41-,42-,43-,44-,45-,46-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid?
(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid has a molecular weight of 1467.91 g/mol, XLogP of -3.25, 51 rotatable bonds, 21 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[(2-amino-2-methylpropanoyl)amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]hexanoic acid is sourced from PubChem (CID 10011756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).