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Summary Geometry Related PDB entries

E6D

Summary

Name:	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Formula:	C17 H32 N2 O5
Formal charge:	0
Formula weight:	344.446 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
OpenEye OEToolkits	2.0.6	ethyl (3~{S})-4-[[(2~{S})-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-butanoate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(O)CC(=O)OCC
InChI	InChI	1.03	InChI=1S/C17H32N2O5/c1-6-24-15(21)10-14(20)17(23)19-13(9-12(4)5)16(22)18-8-7-11(2)3/h11-14,20H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
InChIKey	InChI	1.03	FGRTVYZNNRCSAS-KBPBESRZSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOC(=O)C[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
SMILES	CACTVS	3.385	CCOC(=O)C[CH](O)C(=O)N[CH](CC(C)C)C(=O)NCCC(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCOC(=O)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)O
SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)CC(C(=O)NC(CC(C)C)C(=O)NCCC(C)C)O

218853

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