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Summary Geometry Related PDB entries

EN5

Summary

Name:	N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide
Formula:	C27 H53 N5 O4
Formal charge:	0
Formula weight:	511.741 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(10-aminodecanoyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide
OpenEye OEToolkits	1.7.6	10-azanyl-N-[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]decanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCCCCCCN
InChI	InChI	1.03	InChI=1S/C27H53N5O4/c28-18-11-5-3-1-2-4-9-16-25(34)31-24(21-33)27(36)32-23(15-10-12-19-29)26(35)30-20-17-22-13-7-6-8-14-22/h22-24,33H,1-21,28-29H2,(H,30,35)(H,31,34)(H,32,36)/t23-,24-/m0/s1
InChIKey	InChI	1.03	OVRFOVZVAWIPDE-ZEQRLZLVSA-N
SMILES_CANONICAL	CACTVS	3.385	NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1
SMILES	CACTVS	3.385	NCCCCCCCCCC(=O)N[CH](CO)C(=O)N[CH](CCCCN)C(=O)NCCC1CCCCC1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN
SMILES	OpenEye OEToolkits	1.7.6	C1CCC(CC1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCCCN

222415

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