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   aspartic acid

Aspartic Acid

Asp

D

Aspartic

SMILES
N[C@@H](CC(O)=O)C(O)=O

Canonical SMILES NC(CC(=O)O)C(=O)O

InChI
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
AuxInfo=1/1/N:3,2,7,4,1,8,9,5,6/E:(6,7)(8,9)/it:im/rA:9nNCCCOOCOO/rB:s1;P2;s2;d4;s4;s3;d7;s7;/rC:-1.0703,-.8258,0;-.3558,-.4133,0;-.3558,.4117,0;.3558,-1.235,0;.3558,-.4133,0;-.3558,-1.6458,0;.3587,.8242,0;.3587,1.6458,0;1.0703,.4133,0;


Structure files

MOL file ; PDB file
MInChI v0.9
MInChIxe1 C4H7NO4 c5xh2xl4xl8x r9xr1xh3xl6x r7xsh2Hxc1xc 5H2xcxlHxc6x c7xrxlHxc8xc 9xrxst2xhxsm 0xss1
Updated: 9 June 2006



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department of chemistry University of Cambridge