AEI

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-amino-4-{[(1S,2R)-1-amino-1-carboxypropan-2-yl]oxy}-4-oxobutanoic acid (non-preferred name)
OpenEye OEToolkits	1.7.6	(2S)-2-azanyl-4-[(2R,3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butan-2-yl]oxy-4-oxidanylidene-butanoic acid

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(C(=O)O)C(C)OC(=O)CC(N)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H14N2O6/c1-3(6(10)8(14)15)16-5(11)2-4(9)7(12)13/h3-4,6H,2,9-10H2,1H3,(H,12,13)(H,14,15)/t3-,4+,6+/m1/s1
InChIKey	InChI	1.03	YWWVQWYBVSCACV-IWGUZYHVSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](OC(=O)C[C@H](N)C(O)=O)[C@H](N)C(O)=O
SMILES	CACTVS	3.385	C[CH](OC(=O)C[CH](N)C(O)=O)[CH](N)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N
SMILES	OpenEye OEToolkits	1.7.6	CC(C(C(=O)O)N)OC(=O)CC(C(=O)O)N