[(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid

C19H31N5O8 — CID 130238026

About [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid

[(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid (PubChem CID 130238026) has the molecular formula C19H31N5O8 and a molecular weight of 457.48 g/mol. Its IUPAC name is [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid
• PubChem CID: 130238026
• Molecular Formula: C19H31N5O8
• Molecular Weight: 457.48 g/mol
• Exact Mass: 457.22
• IUPAC Name: [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid
• SMILES: C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)[C@@H](NC(=O)O)[C@@H](C)O)C1)C(N)=O
• InChI: InChI=1S/C19H31N5O8/c1-9(25)13(15(20)27)21-16(28)12-4-3-6-24(12)17(29)11-5-7-23(8-11)18(30)14(10(2)26)22-19(31)32/h9-14,22,25-26H,3-8H2,1-2H3,(H2,20,27)(H,21,28)(H,31,32)/t9-,10-,11-,12-,13+,14+/m1/s1
• InChIKey: UUOVVXHUDVKXRR-KJKVDNPUSA-N
• XLogP: -2.81
• TPSA: 202.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.48
LogP ≤ 5	-2.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid?

The IUPAC name of [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid (CID 130238026) is [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid.

What is the SMILES notation for [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid?

The canonical SMILES for [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid is C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCN(C(=O)[C@@H](NC(=O)O)[C@@H](C)O)C1)C(N)=O.

What is the InChIKey of [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid?

The InChIKey is UUOVVXHUDVKXRR-KJKVDNPUSA-N. The full InChI is InChI=1S/C19H31N5O8/c1-9(25)13(15(20)27)21-16(28)12-4-3-6-24(12)17(29)11-5-7-23(8-11)18(30)14(10(2)26)22-19(31)32/h9-14,22,25-26H,3-8H2,1-2H3,(H2,20,27)(H,21,28)(H,31,32)/t9-,10-,11-,12-,13+,14+/m1/s1.

What are the key properties of [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid?

[(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid has a molecular weight of 457.48 g/mol, XLogP of -2.81, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R)-1-[(3R)-3-[(2R)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 130238026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).