Chemical Components in the PDB

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AGT : Summary

Code

AGT

One-letter code

C

Molecule name

S-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-L-CYSTEINE

Systematic names

ProgramVersionName
ACDLabs 12.01 S-{(S)-amino[(4-aminobutyl)amino]methyl}-L-cysteine
OpenEye OEToolkits 1.7.2 (2R)-2-azanyl-3-[(S)-azanyl-(4-azanylbutylamino)methyl]sulfanyl-propanoic acid

Formula

C8 H20 N4 O2 S

Formal charge

0

Molecular weight

236.335 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CSC(NCCCCN)N
SMILES CACTVS 3.370 NCCCCN[CH](N)SC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 C(CCNC(N)SCC(C(=O)O)N)CN
Canonical SMILES CACTVS 3.370 NCCCCN[C@H](N)SC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C(CCN[C@H](N)SC[C@@H](C(=O)O)N)CN

IUPAC InChI

InChI=1S/C8H20N4O2S/c9-3-1-2-4-12-8(11)15-5-6(10)7(13)14/h6,8,12H,1-5,9-11H2,(H,13,14)/t6-,8-/m0/s1

IUPAC InChI key

GZLBOQUKGXMSFX-XPUUQOCRSA-N
AGT

wwPDB Information

Atom count

35 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2006-08-17

Last modified at

2011-08-04

Status

Released

Obsoleted

Not Assigned