(3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide

C19H36N4O4 — CID 126693898

About (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide

(3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 126693898) has the molecular formula C19H36N4O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide
• PubChem CID: 126693898
• Molecular Formula: C19H36N4O4
• Molecular Weight: 384.52 g/mol
• Exact Mass: 384.27
• IUPAC Name: (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide
• SMILES: CC(C)C[C@@H]1CNC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)C(C)C)[C@H](C)O
• InChI: InChI=1S/C19H36N4O4/c1-10(2)6-13-8-21-9-14(13)18(26)23-16(12(5)24)19(27)22-15(7-20)17(25)11(3)4/h10-16,21,24H,6-9,20H2,1-5H3,(H,22,27)(H,23,26)/t12-,13+,14+,15-,16-/m0/s1
• InChIKey: PGFPENPXHLCOQF-OTJKEOIZSA-N
• XLogP: -0.60
• TPSA: 133.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.52
LogP ≤ 5	-0.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 126693898) is (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide is CC(C)C[C@@H]1CNC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CN)C(=O)C(C)C)[C@H](C)O.

What is the InChIKey of (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide?

The InChIKey is PGFPENPXHLCOQF-OTJKEOIZSA-N. The full InChI is InChI=1S/C19H36N4O4/c1-10(2)6-13-8-21-9-14(13)18(26)23-16(12(5)24)19(27)22-15(7-20)17(25)11(3)4/h10-16,21,24H,6-9,20H2,1-5H3,(H,22,27)(H,23,26)/t12-,13+,14+,15-,16-/m0/s1.

What are the key properties of (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide?

(3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 384.52 g/mol, XLogP of -0.60, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-N-[(2S,3S)-1-[[(2S)-1-amino-4-methyl-3-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-4-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126693898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).