Chemical Components in the PDB

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F7P : Summary

Code

F7P

One-letter code

X

Molecule name

1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-3-[1-[(3~{R})-2-methyl-3-oxidanyl-butan-2-yl]indol-3-yl]propanoic acid

Formula

C16 H22 N2 O3

Formal charge

0

Molecular weight

290.357 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C(N)C(O)=O)c2c1ccccc1n(c2)C(C(C)O)(C)C
SMILES CACTVS 3.385 C[CH](O)C(C)(C)n1cc(C[CH](N)C(O)=O)c2ccccc12
SMILES OpenEye OEToolkits 2.0.6 CC(C(C)(C)n1cc(c2c1cccc2)CC(C(=O)O)N)O
Canonical SMILES CACTVS 3.385 C[C@@H](O)C(C)(C)n1cc(C[C@H](N)C(O)=O)c2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C16H22N2O3/c1-10(19)16(2,3)18-9-11(8-13(17)15(20)21)12-6-4-5-7-14(12)18/h4-7,9-10,13,19H,8,17H2,1-3H3,(H,20,21)/t10-,13+/m1/s1

IUPAC InChI key

AMVINRFZGUCXTO-MFKMUULPSA-N
F7P

wwPDB Information

Atom count

43 (21 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-09

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned