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Molecule : 4JK

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C7H15N3O3/c8-5(7(12)13)2-1-3-10-6(9)4-11/h5,11H,1-4,8H2,(H2,9,10)(H,12,13)/t5-/m0/s1
2	InChIKey	InChI	1.03	TXBVSXZGQDGYCU-YFKPBYRVSA-N
3	SMILES	ACDLabs	12.01	O=C(O)C(N)CCCNC(=[N@H])CO
4	SMILES	CACTVS	3.385	N[CH](CCCNC(=N)CO)C(O)=O
5	SMILES	OpenEye OEToolkits	1.7.6	C(CC(C(=O)O)N)CNC(=N)CO
6	Canonical SMILES	CACTVS	3.385	N[C@@H](CCCNC(=N)CO)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	[H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N