N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

C32H46N6O6 — CID 6539219

IUPACN-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
InChIInChI=1S/C32H46N6O6/c1-19(2)17-25(29(33)41)37-30(42)21(5)35-27(40)18-26(39)23(15-14-22-11-7-6-8-12-22)36-32(44)28(20(3)4)38-31(43)24-13-9-10-16-34-24/h6-13,16,19-21,23,25-26,28,39H,14-15,17-18H2,1-5H3,(H2,33,41)(H,35,40)(H,36,44)(H,37,42)(H,38,43)/t21-,23-,25-,26-,28-/m0/s1
InChIKeyHAHQMOHZXMDXSL-PPMAGOSRSA-N
MW610.76 g/mol
LogP1.23
Rot. Bonds17

About N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 6539219) has the molecular formula C32H46N6O6 and a molecular weight of 610.76 g/mol. Its IUPAC name is N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID6539219
Molecular FormulaC32H46N6O6
Molecular Weight610.76 g/mol
Exact Mass610.35
IUPAC NameN-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
InChIInChI=1S/C32H46N6O6/c1-19(2)17-25(29(33)41)37-30(42)21(5)35-27(40)18-26(39)23(15-14-22-11-7-6-8-12-22)36-32(44)28(20(3)4)38-31(43)24-13-9-10-16-34-24/h6-13,16,19-21,23,25-26,28,39H,14-15,17-18H2,1-5H3,(H2,33,41)(H,35,40)(H,36,44)(H,37,42)(H,38,43)/t21-,23-,25-,26-,28-/m0/s1
InChIKeyHAHQMOHZXMDXSL-PPMAGOSRSA-N
XLogP1.23
TPSA192.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 51.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide (CID 6539219) is N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide is CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O.
What is the InChIKey of N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
The InChIKey is HAHQMOHZXMDXSL-PPMAGOSRSA-N. The full InChI is InChI=1S/C32H46N6O6/c1-19(2)17-25(29(33)41)37-30(42)21(5)35-27(40)18-26(39)23(15-14-22-11-7-6-8-12-22)36-32(44)28(20(3)4)38-31(43)24-13-9-10-16-34-24/h6-13,16,19-21,23,25-26,28,39H,14-15,17-18H2,1-5H3,(H2,33,41)(H,35,40)(H,36,44)(H,37,42)(H,38,43)/t21-,23-,25-,26-,28-/m0/s1.
What are the key properties of N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 610.76 g/mol, XLogP of 1.23, 17 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(3S,4S)-6-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-hydroxy-6-oxo-1-phenylhexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 6539219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).