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Summary Geometry Related PDB entries

9ZG

Summary

Name:	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
Formula:	C20 H26 N4 O3
Formal charge:	0
Formula weight:	370.445 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(phenylmethyl) ~{N}-[(2~{S})-1-[[aminomethyl(methyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Chemical Descriptors

Type	Program	Version	Descriptor
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
SMILES_CANONICAL	CACTVS	3.385	CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILES	CACTVS	3.385	CN(CN)N(C)C(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(CN)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CN(CN)N(C)C(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2

222415

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