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Summary Geometry Related PDB entries

MV8

Summary

Name:	(4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid
Formula:	C17 H23 N5 O4
Formal charge:	0
Formula weight:	361.396 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid
OpenEye OEToolkits	2.0.7	2-[4-[[(5~{R})-3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N=C(N)c1ccc(cc1)N1CC(CN2CCN(CC(=O)O)CC2)OC1=O
InChI	InChI	1.03	InChI=1S/C17H23N5O4/c18-16(19)12-1-3-13(4-2-12)22-10-14(26-17(22)25)9-20-5-7-21(8-6-20)11-15(23)24/h1-4,14H,5-11H2,(H3,18,19)(H,23,24)/t14-/m1/s1
InChIKey	InChI	1.03	BXTGCIBGRDGLNI-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=N)c1ccc(cc1)N2C[C@@H](CN3CCN(CC3)CC(O)=O)OC2=O
SMILES	CACTVS	3.385	NC(=N)c1ccc(cc1)N2C[CH](CN3CCN(CC3)CC(O)=O)OC2=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[H]/N=C(\c1ccc(cc1)N2C[C@H](OC2=O)CN3CCN(CC3)CC(=O)O)/N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=N)N)N2CC(OC2=O)CN3CCN(CC3)CC(=O)O

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