ISDA: 3DY3

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: SLR

IUPAC Name: (3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline

Formal Charge: 0

Type: D-peptide linking

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1CCCN1

InChI: InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

InChI Key: HNJBEVLQSNELDL-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C10 H17 N O5

Molecular weight: 231.246

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 4

Rotatable Bonds: 8

Heavy Atoms: 16

Systematic name

Program	Version	Descriptor
ACDLabs	10.04	(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
OpenEye OEToolkits	1.5.0	(2R,3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidine-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C
SMILES_CANONICAL	CACTVS	3.341	CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O
SMILES	CACTVS	3.341	CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O
SMILES	OpenEye OEToolkits	1.5.0	CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1
InChIKey	InChI	1.03	USVJHCXEVSVUEZ-JTGULSINSA-N

Chemical Database Mapping

Database	Reference ID
PubChem	25021189
ZINC	ZINC000058638563