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V4T : Summary

Code

V4T

One-letter code

X

Molecule name

1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2

Systematic names

Not Assigned

Formula

C24 H21 Cl F2 N4 O3

Formal charge

0

Molecular weight

486.898 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C
SMILES OpenEye OEToolkits 2.0.7 CC1CN2c3c4c(c(c(c(c4OCCC2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3
Canonical SMILES CACTVS 3.385 C[C@@H]1CN2[C@@H](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H]1CN2c3c4c(c(c(c(c4OCC[C@H]2CN1C(=O)C=C)Cl)c5c(cccc5F)O)F)ncn3

IUPAC InChI

InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1

IUPAC InChI key

KYVBBJIEKCCZTM-OLZOCXBDSA-N
V4T

wwPDB Information

Atom count

55 (34 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-04-12

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned