Chemical Components in the PDB

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M7V : Summary

Code

M7V

One-letter code

X

Molecule name

(1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid
OpenEye OEToolkits 2.0.7 (1~{S},2~{R})-2-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-1-butyl-cyclopropane-1-carboxylic acid

Formula

C10 H17 N O4

Formal charge

0

Molecular weight

215.246 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CCCCC1(C(C(C(O)=O)N)C1)C(O)=O
SMILES CACTVS 3.385 CCCC[C]1(C[CH]1[CH](N)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCCC1(CC1C(C(=O)O)N)C(=O)O
Canonical SMILES CACTVS 3.385 CCCC[C@@]1(C[C@H]1[C@H](N)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O

IUPAC InChI

InChI=1S/C10H17NO4/c1-2-3-4-10(9(14)15)5-6(10)7(11)8(12)13/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-,10-/m0/s1

IUPAC InChI key

CJQORTJFEFUXDX-BYULHYEWSA-N
M7V

wwPDB Information

Atom count

32 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-27

Last modified at

2020-03-27

Status

Released

Obsoleted

Not Assigned