2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide

C32H57N5O6 — CID 123387043

IUPAC2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide
SMILESCCC(C)(CC)c1cc(O)n(CCCCCC(=O)NNC(=O)CCCN(C)C(C(=O)NC(C(C)=O)C(C)C)C(C)C)c1O
InChIInChI=1S/C32H57N5O6/c1-10-32(8,11-2)24-20-27(41)37(31(24)43)19-14-12-13-16-25(39)34-35-26(40)17-15-18-36(9)29(22(5)6)30(42)33-28(21(3)4)23(7)38/h20-22,28-29,41,43H,10-19H2,1-9H3,(H,33,42)(H,34,39)(H,35,40)
InChIKeyDHTMZJBPWONWJZ-UHFFFAOYSA-N
MW607.84 g/mol
LogP4.15
Rot. Bonds19

About 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide

2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide (PubChem CID 123387043) has the molecular formula C32H57N5O6 and a molecular weight of 607.84 g/mol. Its IUPAC name is 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide.

Molecular Properties

Compound Name2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide
PubChem CID123387043
Molecular FormulaC32H57N5O6
Molecular Weight607.84 g/mol
Exact Mass607.43
IUPAC Name2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide
SMILESCCC(C)(CC)c1cc(O)n(CCCCCC(=O)NNC(=O)CCCN(C)C(C(=O)NC(C(C)=O)C(C)C)C(C)C)c1O
InChIInChI=1S/C32H57N5O6/c1-10-32(8,11-2)24-20-27(41)37(31(24)43)19-14-12-13-16-25(39)34-35-26(40)17-15-18-36(9)29(22(5)6)30(42)33-28(21(3)4)23(7)38/h20-22,28-29,41,43H,10-19H2,1-9H3,(H,33,42)(H,34,39)(H,35,40)
InChIKeyDHTMZJBPWONWJZ-UHFFFAOYSA-N
XLogP4.15
TPSA153.00 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.84
LogP ≤ 54.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The IUPAC name of 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide (CID 123387043) is 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide.
What is the SMILES notation for 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The canonical SMILES for 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide is CCC(C)(CC)c1cc(O)n(CCCCCC(=O)NNC(=O)CCCN(C)C(C(=O)NC(C(C)=O)C(C)C)C(C)C)c1O.
What is the InChIKey of 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide?
The InChIKey is DHTMZJBPWONWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N5O6/c1-10-32(8,11-2)24-20-27(41)37(31(24)43)19-14-12-13-16-25(39)34-35-26(40)17-15-18-36(9)29(22(5)6)30(42)33-28(21(3)4)23(7)38/h20-22,28-29,41,43H,10-19H2,1-9H3,(H,33,42)(H,34,39)(H,35,40).
What are the key properties of 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide?
2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide has a molecular weight of 607.84 g/mol, XLogP of 4.15, 19 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[6-[2,5-dihydroxy-3-(3-methylpentan-3-yl)pyrrol-1-yl]hexanoyl]hydrazinyl]-4-oxobutyl]-methylamino]-3-methyl-N-(2-methyl-4-oxopentan-3-yl)butanamide is sourced from PubChem (CID 123387043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).