Chemical Components in the PDB

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Y57 : Summary

Code

Y57

One-letter code

K

Molecule name

N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-6-[2-phenylethyl(propan-2-yl)amino]hexanoic acid

Formula

C17 H28 N2 O2

Formal charge

0

Molecular weight

292.416 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1
SMILES CACTVS 3.385 CC(C)N(CCCC[CH](N)C(O)=O)CCc1ccccc1
SMILES OpenEye OEToolkits 2.0.7 CC(C)N(CCCCC(C(=O)O)N)CCc1ccccc1
Canonical SMILES CACTVS 3.385 CC(C)N(CCCC[C@H](N)C(O)=O)CCc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1

IUPAC InChI

InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1

IUPAC InChI key

XGCVHMMQJAIVRH-INIZCTEOSA-N
Y57

wwPDB Information

Atom count

49 (21 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2021-02-04

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned