[(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid

C19H31N5O8 — CID 118678862

IUPAC[(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(C(=O)[C@H](O)[C@H](C)NC(=O)O)C2)C1)[C@@H](O)C(N)=O
InChIInChI=1S/C19H31N5O8/c1-9(13(25)15(20)27)21-16(28)11-3-5-23(7-11)17(29)12-4-6-24(8-12)18(30)14(26)10(2)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+/m0/s1
InChIKeyNTOBVZJQIQQSNQ-PRSXHHODSA-N
MW457.48 g/mol
LogP-2.95
Rot. Bonds8

About [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid

[(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid (PubChem CID 118678862) has the molecular formula C19H31N5O8 and a molecular weight of 457.48 g/mol. Its IUPAC name is [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid
PubChem CID118678862
Molecular FormulaC19H31N5O8
Molecular Weight457.48 g/mol
Exact Mass457.22
IUPAC Name[(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(C(=O)[C@H](O)[C@H](C)NC(=O)O)C2)C1)[C@@H](O)C(N)=O
InChIInChI=1S/C19H31N5O8/c1-9(13(25)15(20)27)21-16(28)11-3-5-23(7-11)17(29)12-4-6-24(8-12)18(30)14(26)10(2)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+/m0/s1
InChIKeyNTOBVZJQIQQSNQ-PRSXHHODSA-N
XLogP-2.95
TPSA202.60 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.48
LogP ≤ 5-2.95
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid with MolForge

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Related Compounds

(3R)-3-[(3S)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 118678754
N-[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 118678826
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(3S)-1-[(2S,3R)-3-hydroxy-2-methylbutanoyl]pyrrolidine-3-carbonyl]pyrrolidine-3-carboxamide
CID 130258507
[(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
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-(pyrrolidine-3-carbonyl)pyrrolidine-3-carboxamide
CID 130237986
(3S)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-3-carboxamide
CID 130238024
(3S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-3-carboxamide
CID 130238042
1-[2-(cyclopentanecarbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355100
1-[2-(carbamoylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 55151360
1-(cyclopropanecarbonyl)-N-(4-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 115283610
(3S)-3-[(2S)-2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 130238004
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid?
The IUPAC name of [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid (CID 118678862) is [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid?
The canonical SMILES for [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid is C[C@H](NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCN(C(=O)[C@H](O)[C@H](C)NC(=O)O)C2)C1)[C@@H](O)C(N)=O.
What is the InChIKey of [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid?
The InChIKey is NTOBVZJQIQQSNQ-PRSXHHODSA-N. The full InChI is InChI=1S/C19H31N5O8/c1-9(13(25)15(20)27)21-16(28)11-3-5-23(7-11)17(29)12-4-6-24(8-12)18(30)14(26)10(2)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+/m0/s1.
What are the key properties of [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid?
[(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid has a molecular weight of 457.48 g/mol, XLogP of -2.95, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-[(3R)-3-[(3R)-3-[[(2S,3R)-4-amino-3-hydroxy-4-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-hydroxy-4-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 118678862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).