Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

Obsolete: A9D

Summary
Name:(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate
Formula:C14 H21 N3 O7
Formal charge:0
Formula weight:343.332 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-amino-2-carboxyethyl 1-carboxy-L-prolyl-L-prolinate
OpenEye OEToolkits1.7.0(2S)-2-[(2S)-2-[(2S)-2-azanyl-3-hydroxy-3-oxo-propoxy]carbonylpyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1C(C(=O)OCC(C(=O)O)N)CCC1)C2N(C(=O)O)CCC2
SMILES_CANONICALCACTVS3.370N[C@@H](COC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(O)=O)C(O)=O
SMILESCACTVS3.370N[CH](COC(=O)[CH]1CCCN1C(=O)[CH]2CCCN2C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.0C1CC(N(C1)C(=O)C2CCCN2C(=O)O)C(=O)OCC(C(=O)O)N
InChIInChI1.03InChI=1S/C14H21N3O7/c15-8(12(19)20)7-24-13(21)10-4-2-5-16(10)11(18)9-3-1-6-17(9)14(22)23/h8-10H,1-7,15H2,(H,19,20)(H,22,23)/t8-,9-,10-/m0/s1
InChIKeyInChI1.03XVGHKAKDPMMTJO-GUBZILKMSA-N

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon