9ZG

(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Created:	2021-11-22
Last modified:	2024-09-27

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2 entries where 9ZG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	12

2D diagram of 9ZG

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Chemical Component Summary
Name	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
Systematic Name (OpenEye OEToolkits)	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
Formula	C₂₀ H₂₆ N₄ O₃
Molecular Weight	370.445
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CN(CN)N(C)C(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2
Canonical SMILES	CACTVS	3.385	CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2
InChI	InChI	1.06	InChI=1S/C20H26N4O3/c1-23(15-21)24(2)19(25)18(13-16-9-5-3-6-10-16)22-20(26)27-14-17-11-7-4-8-12-17/h3-12,18H,13-15,21H2,1-2H3,(H,22,26)/t18-/m0/s1
InChIKey	InChI	1.06	OUWJIALCFGQZPQ-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
PubChem	162422439

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