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Molecule : 01S

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H22N4O5/c1-6(2)4-8(12(20)16-21)11(19)15-7(3)10(18)14-5-9(13)17/h6-8,21H,4-5H2,1-3H3,(H2,13,17)(H,14,18)(H,15,19)(H,16,20)/t7-,8-/m0/s1
2	InChIKey	InChI	1.03	FGSNBBSHVNLDMX-YUMQZZPRSA-N
3	SMILES	ACDLabs	10.04	O=C(N)CNC(=O)C(NC(=O)C(C(=O)NO)CC(C)C)C
4	SMILES	CACTVS	3.352	CC(C)C[CH](C(=O)NO)C(=O)N[CH](C)C(=O)NCC(N)=O
5	Canonical SMILES	CACTVS	3.352	CC(C)C[C@@H](C(=O)NO)C(=O)N[C@H](C)C(=O)NCC(N)=O