9V0

(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid

Created:	2018-08-16
Last modified:	2019-04-17

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1 entries where 9V0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	6

2D diagram of 9V0

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Chemical Component Summary
Name	(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
Formula	C₁₄ H₁₉ N₅ O₄
Molecular Weight	321.332
Type	PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)N=[N+]=[N-]
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-]
InChI	InChI	1.03	InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1
InChIKey	InChI	1.03	PGNICAOCNIVZRV-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	89499050

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