Structural Complex
Chemical ID: P0A
IUPAC Name: (2R)-2-aminoheptanedioic acid
Formal Charge: 0
Type: D-peptide linking
Physiochemical Descriptor:
Formula: C7 H13 N O4
Molecular weight: 175.182
Hydrogen Bond Acceptor: 5
Hydrogen Bond Donor: 3
Rotatable Bonds: 7
Heavy Atoms: 12
Systematic name
Program Version Descriptor
ACDLabs 12.01 (2R)-2-aminoheptanedioic acid
OpenEye OEToolkits 1.7.2 (2R)-2-azanylheptanedioic acid
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CCCCC(=O)O
SMILES_CANONICAL CACTVS 3.370 N[C@H](CCCCC(O)=O)C(O)=O
SMILES CACTVS 3.370 N[CH](CCCCC(O)=O)C(O)=O
SMILES_CANONICAL OpenEye OEToolkits 1.7.2 C(CCC(=O)O)C[C@H](C(=O)O)N
SMILES OpenEye OEToolkits 1.7.2 C(CCC(=O)O)CC(C(=O)O)N
InChI InChI 1.03 InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m1/s1
InChIKey InChI 1.03 JUQLUIFNNFIIKC-RXMQYKEDSA-N
Chemical Database Mapping
Database Reference ID
PubChem 7005036
ZINC ZINC000002169351
SureChEMBL SCHEMBL17262411
Feedback Form
Name
Email
Institute
Feedback