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BioLiP

PDB CCD ID: URL
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N2 O2
InChI: InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKey: MUXHOSWJKVCQIF-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)CC(CNC(=O)O)N
OpenEye OEToolkits 2.0.6CC(C)C[C@@H](CNC(=O)O)N
CACTVS 3.385CC(C)C[C@H](N)CNC(O)=O
CACTVS 3.385CC(C)C[CH](N)CNC(O)=O
Name:[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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