(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid

C46H77N11O20 — CID 132555444

IUPAC(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
SMILESCCCCCC/C=C\CCCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)C(O)C(=O)O
InChIInChI=1S/C46H77N11O20/c1-4-5-6-7-8-9-10-11-12-17-36(64)55-37(38(65)46(74)75)44(71)51-30(19-21-35(48)63)41(68)54-32(24-58)42(69)50-29(18-20-34(47)62)40(67)49-28(15-13-22-56(76)26(2)60)39(66)53-33(25-59)43(70)52-31(45(72)73)16-14-23-57(77)27(3)61/h9-10,28-33,37-38,58-59,65,76-77H,4-8,11-25H2,1-3H3,(H2,47,62)(H2,48,63)(H,49,67)(H,50,69)(H,51,71)(H,52,70)(H,53,66)(H,54,68)(H,55,64)(H,72,73)(H,74,75)/b10-9-/t28-,29-,30-,31-,32-,33-,37-,38?/m0/s1
InChIKeyICKNOKOWTHCYJE-WCNUPEPSSA-N
MW1104.18 g/mol
LogP-4.84
Rot. Bonds41

About (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid

(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid (PubChem CID 132555444) has the molecular formula C46H77N11O20 and a molecular weight of 1104.18 g/mol. Its IUPAC name is (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
PubChem CID132555444
Molecular FormulaC46H77N11O20
Molecular Weight1104.18 g/mol
Exact Mass1103.53
IUPAC Name(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
SMILESCCCCCC/C=C\CCCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)C(O)C(=O)O
InChIInChI=1S/C46H77N11O20/c1-4-5-6-7-8-9-10-11-12-17-36(64)55-37(38(65)46(74)75)44(71)51-30(19-21-35(48)63)41(68)54-32(24-58)42(69)50-29(18-20-34(47)62)40(67)49-28(15-13-22-56(76)26(2)60)39(66)53-33(25-59)43(70)52-31(45(72)73)16-14-23-57(77)27(3)61/h9-10,28-33,37-38,58-59,65,76-77H,4-8,11-25H2,1-3H3,(H2,47,62)(H2,48,63)(H,49,67)(H,50,69)(H,51,71)(H,52,70)(H,53,66)(H,54,68)(H,55,64)(H,72,73)(H,74,75)/b10-9-/t28-,29-,30-,31-,32-,33-,37-,38?/m0/s1
InChIKeyICKNOKOWTHCYJE-WCNUPEPSSA-N
XLogP-4.84
TPSA506.25 Ų
H-Bond Donors16
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.18
LogP ≤ 5-4.84
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic 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

(2R)-5-[acetyl(hydroxy)amino]-2-[[(2R)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(Z)-tetradec-7-enoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
CID 163061986
4-[[1-[[1-[[1-[[5-[acetyl(hydroxy)amino]-1-[[1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-hydroxy-4-oxo-3-(tetradecanoylamino)butanoic acid
CID 74932296
(2S)-5-amino-2-[[(Z)-icos-11-enoyl]amino]-5-oxopentanoic acid
CID 171116799
5-amino-2-(nonadec-9-enoylamino)-5-oxopentanoic acid
CID 123328300
5-amino-5-oxo-2-[[(E)-tetracos-15-enoyl]amino]pentanoic acid
CID 156963106
(2S)-5-amino-2-[[(Z)-heptadec-9-enoyl]amino]-5-oxopentanoic acid
CID 171116793
(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(Z)-3-hydroxyoctadec-9-enoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 101240899
5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[2-[[8-(hexadec-9-enoylamino)-7-hydroxy-6,9-dioxo-1,5-diazonane-2-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
CID 163062364
(2R,3S)-4-[[(2S)-4-amino-1-[[(2S)-1-(4-aminobutylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(3S,4S)-4-[[(Z)-dec-5-enoyl]amino]-3,5-dihydroxypentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxy-4-oxobutanoic acid
CID 162814655
(2R)-5-amino-2-[[(2S,3R)-3-methyl-2-(tetradecanoylamino)pentanoyl]amino]-5-oxopentanoic acid
CID 144998851
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid (CID 132555444) is (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid is CCCCCC/C=C\CCCC(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)C(O)C(=O)O.
What is the InChIKey of (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid?
The InChIKey is ICKNOKOWTHCYJE-WCNUPEPSSA-N. The full InChI is InChI=1S/C46H77N11O20/c1-4-5-6-7-8-9-10-11-12-17-36(64)55-37(38(65)46(74)75)44(71)51-30(19-21-35(48)63)41(68)54-32(24-58)42(69)50-29(18-20-34(47)62)40(67)49-28(15-13-22-56(76)26(2)60)39(66)53-33(25-59)43(70)52-31(45(72)73)16-14-23-57(77)27(3)61/h9-10,28-33,37-38,58-59,65,76-77H,4-8,11-25H2,1-3H3,(H2,47,62)(H2,48,63)(H,49,67)(H,50,69)(H,51,71)(H,52,70)(H,53,66)(H,54,68)(H,55,64)(H,72,73)(H,74,75)/b10-9-/t28-,29-,30-,31-,32-,33-,37-,38?/m0/s1.
What are the key properties of (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid?
(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid has a molecular weight of 1104.18 g/mol, XLogP of -4.84, 41 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-3-carboxy-2-[[(Z)-dodec-5-enoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid is sourced from PubChem (CID 132555444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).