WT2

(S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID

Created:	2015-02-02
Last modified:	2015-04-29

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1 entries where WT2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

2D diagram of WT2

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Chemical Component Summary
Name	(S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-5-(2-oxidanylideneethanimidoylamino)pentanoic acid
Formula	C₇ H₁₃ N₃ O₃
Molecular Weight	187.196
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CCCNC(=[N@H])C=O
SMILES	CACTVS	3.385	N[CH](CCCNC(=N)C=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CC(C(=O)O)N)CNC(=N)C=O
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCNC(=N)C=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(C[C@@H](C(=O)O)N)CNC(=N)C=O
InChI	InChI	1.03	InChI=1S/C7H13N3O3/c8-5(7(12)13)2-1-3-10-6(9)4-11/h4-5H,1-3,8H2,(H2,9,10)(H,12,13)/t5-/m0/s1
InChIKey	InChI	1.03	JPSGSOHVMKIFBG-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	137350145

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