N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

C34H39N5O5 — CID 46236814

About N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 46236814) has the molecular formula C34H39N5O5 and a molecular weight of 597.72 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
• PubChem CID: 46236814
• Molecular Formula: C34H39N5O5
• Molecular Weight: 597.72 g/mol
• Exact Mass: 597.30
• IUPAC Name: N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
• SMILES: C#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C
• InChI: InChI=1S/C34H39N5O5/c1-4-18-36-32(42)28(21-25-15-9-6-10-16-25)37-30(41)22-29(40)27(20-24-13-7-5-8-14-24)38-34(44)31(23(2)3)39-33(43)26-17-11-12-19-35-26/h1,5-17,19,23,27-29,31,40H,18,20-22H2,2-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)/t27-,28-,29-,31-/m0/s1
• InChIKey: RAZZBARIWRCYLK-KECWCRPSSA-N
• XLogP: 1.79
• TPSA: 149.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.72
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide (CID 46236814) is N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide is C#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C.

What is the InChIKey of N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?

The InChIKey is RAZZBARIWRCYLK-KECWCRPSSA-N. The full InChI is InChI=1S/C34H39N5O5/c1-4-18-36-32(42)28(21-25-15-9-6-10-16-25)37-30(41)22-29(40)27(20-24-13-7-5-8-14-24)38-34(44)31(23(2)3)39-33(43)26-17-11-12-19-35-26/h1,5-17,19,23,27-29,31,40H,18,20-22H2,2-3H3,(H,36,42)(H,37,41)(H,38,44)(H,39,43)/t27-,28-,29-,31-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?

N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 597.72 g/mol, XLogP of 1.79, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S,3S)-3-hydroxy-5-oxo-5-[[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]amino]-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 46236814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).